SCHEMBL3202934

SCHEMBL3202934

Cc1cccc([S+](c2ccccc2)c2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TRPA1 O75762 2/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TTR P02766 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
MYC P01106 1/20 0.32

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
SCHEMBL423504 0.81 TSHR (0.43) ALDH1A1CYP3A4TSHRACHEMAPT
SCHEMBL3195082 0.79 ALDH1A1 (0.46) ALDH1A1TRPA1HPGDKDM4EHSD17B10
SCHEMBL3203332 0.79 TRPA1 (0.38) ALDH1A1TRPA1CYP3A4CYP2C9KMT2A
Iodide SCHEMBL6129788 0.79 TSHR (0.41) ALDH1A1CYP3A4TSHRACHELMNA
Bromide SCHEMBL3135269 0.79 TSHR (0.41) ALDH1A1CYP3A4TSHRACHELMNA
Bromide SCHEMBL31555343 0.79 TSHR (0.41) ALDH1A1CYP3A4TSHRACHELMNA
SCHEMBL3202895 0.76 ACHE (0.43) ALDH1A1TRPA1HPGDKDM4EHSD17B10
SCHEMBL7646743 0.76 TSHR (0.43) ALDH1A1CYP3A4TSHRACHEMAPT
SCHEMBL3206193 0.76 TRPA1 (0.45) ALDH1A1TRPA1GABRA1GABRB2HPGD
SCHEMBL3189062 0.76 KDM4E (0.52) ALDH1A1HPGDKDM4EHSD17B10CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed