SCHEMBL9350435

SCHEMBL9350435

CCc1cc2c(ccc(=O)n2Cc2ccc(NS(=O)(=O)C(F)(F)F)cc2)c(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL7331126 0.79 KDM4E (0.42) KDM4E
SCHEMBL7435415 0.78 KDM4E (0.40) KDM4E
SCHEMBL7274884 0.76 DCTPP1 (0.45) KDM4E
SCHEMBL7283343 0.76 KDM4E (0.43) AGTR1AGTR2KDM4E
SCHEMBL7277054 0.76 MEN1 (0.44) KDM4E
SCHEMBL9346871 0.75 KMT2A (0.49)
SCHEMBL7274897 0.75 MAPT (0.39)
SCHEMBL3175415 0.74 KDM4E (0.36) KDM4E
SCHEMBL7283332 0.74 ALOX5AP (0.43) AGTR1AGTR2
SCHEMBL7445280 0.74 MAT2A (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed