SCHEMBL9434229

SCHEMBL9434229

Oc1cccc(C(O)(c2nccs2)C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.55
NR1H2 P55055 1/20 0.47
PRKDC P78527 1/20 0.47
ALOX5 P09917 13/20 0.40
SRC P12931 1/20 0.34
CDK2 P24941 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9433713 0.81 AR (0.51) ARNR1H2PRKDCALOX5
SCHEMBL9434600 0.79 KCNH2 (0.44) PRKDCALOX5KCNH2
SCHEMBL8682014 0.78 AR (0.52) ARNR1H2PRKDCALOX5
SCHEMBL7813254 0.76 ALOX5 (0.60) ALOX5
SCHEMBL9598846 0.76 ALOX5 (0.70) ALOX5
SCHEMBL9433149 0.73 ALOX5 (0.52) ALOX5
SCHEMBL9369962 0.73 ALOX5 (0.60) ALOX5
SCHEMBL8617770 0.72 AR (0.50) ARNR1H2PRKDCALOX5
SCHEMBL6288482 0.68 AR (0.42) ARNR1H2ALOX5SYK
SCHEMBL16230730 0.67 AR (0.43) ARNR1H2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
EP-0381375-B1 HETEROCYCLIC DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-11 EP disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed
EP-0381375-A1 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP disclosed