Water

Water

SCHEMBL9329059

CCC(=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O)C=C1Sc2ccc(Cl)cc2N1CCCS(=O)(=O)O.[OH-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ THRB P10828 4/20 0.56
▸ RECQL P46063 4/20 0.56
▸ BLM P54132 3/20 0.56
▸ MAPK1 P28482 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ RAD52 P43351 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 2/20 0.55
▸ PKM P14618 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PRMT1 Q99873 2/20 0.43
▸ PRMT5 O14744 1/20 0.43
▸ CARM1 Q86X55 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12270728 0.99 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13588290 0.99 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL8943182 0.99 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL9664808 0.95 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
Water SCHEMBL11530647 0.95 MAPT (0.53) MAPTMEN1KMT2ATHRBRECQL
Pyridine SCHEMBL10522884 0.94 MAPT (0.52) MAPTMEN1KMT2ATHRBRECQL
Pyridine SCHEMBL5078591 0.94 MAPT (0.52) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL9317740 0.92 MAPT (0.55) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL14072247 0.92 MAPT (0.53) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL13653474 0.91 MAPT (0.50) MAPTMEN1KMT2ATHRBRECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232101-B1 Light-sensitive silver halide color photographic material KONISHIROKU PHOTO IND (JP) 1994-03-23 — — EP disclosed
US-4994361-A With specific yellow coupler KONICA CORPORATION (JP) 1991-02-19 — — US disclosed
US-4988614-A Magenta color forming sulfonamidophenol for images KONICA CORPORATION (JP) 1991-01-29 — — US disclosed
EP-0371767-A2 Silver halide color photographic light-sentitie material KONICA CORPORATION (JP) 1990-06-06 — — EP disclosed
EP-0361897-A2 Silver halide color photographic light-sensitive material containing novel magenta couplers KONICA CORPORATION (JP) 1990-04-04 — — EP disclosed
EP-0232101-A2 Light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1987-08-12 — — EP disclosed
US-4564587-A Light-sensitive silver halide color photographic material comprising multi-silver halide emulsion layers having same color sensitiveness but different in sensitivities KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-01-14 — — US disclosed
US-4521507-A REDUCE SCATTERING OF LIGHT BY SIZE OF GRAINS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-06-04 — — US disclosed
US-RE31893-E DEVELOPMENT INHIBITOR WITH AMINO GROUP AND DEVELOPMENT INHIBITOR WITHOUT AMINO GROUP KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-05-21 — — US disclosed
US-4438194-A HIGH SENSITIVITY, GOOD GRAININESS AND GRADATION KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-03-20 — — US disclosed
US-4414308-A Silver halide color photographic photosensitive material KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-11-08 — — US disclosed
EP-0083239-A2 Multi-layer light-sensitive silver halide color photographic material KONICA CORPORATION (JP) 1983-07-06 — — EP disclosed
US-4370410-A GREEN LAYER CONTAINS A NONDIFFUSING YELLOW COUPLER; DEVELOPMENT STABILITY; COLOR FILMS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-01-25 — — US disclosed
US-4355100-A SILVER HALIDE EMULSIONS CONTAINING TWO DEVELOPMENT SUPPRESSORS; ONE HAVING AN AMINO GROUP AND ONE THAT DOES NOT; STORAGE STABILITY KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1982-10-19 — — US disclosed
US-4268622-A Photographic light-sensitive materials having dyed layers FUJI PHOTO FILM CO., LTD. (JP) 1981-05-19 — — US disclosed
US-4171975-A MAGENTA COUPLER AND AN AMIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-23 — — US disclosed
US-4153460-A Light-sensitive silver halide color photographic material KONISHIROKU PHOTO INDUSTRY CO., LTD (JP) 1979-05-08 — — US disclosed
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