SCHEMBL4602195

SCHEMBL4602195

COS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL777482 0.82 PKM (0.46) CA12CA1CA2CA9PKM
Water SCHEMBL28395492 0.78 HTR6 (0.48) CA12CA1CA2CA9SMN1; SMN2
Water SCHEMBL8799285 0.76 GAA (0.54) CA12CA1CA2CA9PKM
SCHEMBL8931588 0.76
SCHEMBL2869563 0.76 CA1 (0.34) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL27414033 0.76 ALDH1A1 (0.36) CA1CA2CA9
SCHEMBL197570 0.75 CA12 (0.46) CA12CA1CA2CA9PKM
SCHEMBL94530 0.75 HTR6 (0.50) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL696314 0.74 HTR6 (0.32) CA12CA1CA2CA9LMNA
SCHEMBL614636 0.73 HTR6 (0.48) CA12CA1CA2CA9SMN1; SMN2

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821025-A CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1998-10-13 US claimed
CN-1087092-A Novel 7 beta-substituted-4-aza-5 alpha-androstan-3-ones as 5 alpha-reductase inhibitors MERCK & CO INC (US) 1994-05-25 CN claimed
EP-0164018-B1 CHROMOGENIC 4,4-DIARYL-DIHYDROQUINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1990-10-31 EP claimed
US-4695633-A Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US claimed
EP-0164018-A2 Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and use BAYER AG (DE) 1985-12-11 EP claimed
EP-3452524-A1 WATER VAPOR-BLOCKING ADHESIVE COMPOUND HAVING HIGHLY FUNCTIONALIZED POLY(METH)ACRYLATE tesa SE (DE) 2019-03-13 EP disclosed
CN-104822420-A SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 HOFFMANN LA ROCHE 2015-08-05 CN disclosed
CN-102526997-B Golf ball DUNLOP SPORTS CO LTD 2015-04-15 CN disclosed
CN-102526995-B Golf ball SRI SPORTS LTD 2015-04-15 CN disclosed
US-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 US disclosed
EP-1602695-B1 WATER-BASE BLACK INK COMPOSITION AND COLORED MATERIAL NIPPON KAYAKU KK (JP) 2008-04-23 EP disclosed
CN-100366685-C Water-base black ink composition and colored material NIPPON KAYAKU KK (JP) 2008-02-06 CN disclosed
EP-0086389-A2 Aminopyrazole compounds BASF Aktiengesellschaft (DE) 1983-08-24 EP disclosed
US-4399211-A ACRYLIC OLIGOESTER, DIBASIC ACID, POLYOL AND PROMOTER FUJI PHOTO FILM CO., LTD. (JP) 1983-08-16 US disclosed
EP-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4367280-A AROMATIC CARBONYL COMPOUND AND P-DIALKYLAMINO AROMATIC CARBONYL COMPOUND COMBINATION POLYMERIZATION INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1983-01-04 US disclosed
US-4343648-A 6H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES BASF AKTIENGESELLSCHAFT (DE) 1982-08-10 US disclosed
US-4290870-A 5-ISOXOLONE, AROMATIC CARBONYL, DIALKYLAMINO AROMATIC CARBONYL OR FUJI PHOTO FILM CO., LTD. (JP) 1981-09-22 US disclosed
US-4224225-A PHOTOPOLYMERIZATION INITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1980-09-23 US disclosed
US-4148658-A BENZOYLMETHYLENE-BENSOTHIAZOLYIDEND-THIAZOLIDONE COMPOUND, AMINE, AND AMINOARYLCARBONYL COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1979-04-10 US disclosed