SCHEMBL13653474

SCHEMBL13653474

CCC(=Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O)C=C1Sc2ccc(Cl)cc2N1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ KMT2A Q03164 6/20 0.50
▸ THRB P10828 4/20 0.50
▸ RECQL P46063 4/20 0.50
▸ BLM P54132 3/20 0.50
▸ MAPK1 P28482 4/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ RAD52 P43351 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HPGD P15428 2/20 0.43
▸ PRMT5 O14744 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38

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
SCHEMBL13588290 0.92 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL8943182 0.92 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL12270728 0.92 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
Water SCHEMBL9329059 0.91 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL9664808 0.90 MAPT (0.56) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL14072247 0.89 MAPT (0.53) MAPTMEN1KMT2ATHRBRECQL
Pyridine SCHEMBL5078591 0.87 MAPT (0.52) MAPTMEN1KMT2ATHRBRECQL
Water SCHEMBL11530647 0.86 MAPT (0.53) MAPTMEN1KMT2ATHRBRECQL
Pyridine SCHEMBL10522884 0.86 MAPT (0.52) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL11651657 0.85 MAPT (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246443-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION THREE-DIMENSIONAL OPTICAL RECORDING MEDIUM AND SIMULTANEOUS TWO-PHOTON THREE-DIMENSIONAL OPTICAL RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-10-01 — — US disclosed
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