SCHEMBL9422993

SCHEMBL9422993

CCC(C)Cc1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
GFER P55789 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
TRPV3 Q8NET8 7/20 0.37
CXCR2 P25025 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TNKS O95271 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
WNT3A P56704 1/20 0.34
NPBWR1 P48145 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
TYMP P19971 1/20 0.34

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
SCHEMBL9145018 0.84 RAB9A (0.48) RAB9AGFERKDM4ENPC1POLB
SCHEMBL7248333 0.78 GFER (0.46) RAB9AGFERKDM4ENPC1POLB
SCHEMBL17803376 0.71 RAB9A (0.48) RAB9AGFERKDM4ENPC1POLB
SCHEMBL20853413 0.71 RAB9A (0.48) RAB9AGFERKDM4ENPC1POLB
SCHEMBL10649161 0.70 NISCH (0.36) KDM4ETNKSTNKS2TYMP
SCHEMBL8797359 0.70 GFER (0.50) RAB9AGFERKDM4ENPC1POLB
Hydrochloric Acid SCHEMBL10647085 0.69 NISCH (0.35) KDM4ETYMP
SCHEMBL13003550 0.69 ALDH1A1 (0.46) RAB9ANPC1
SCHEMBL27724899 0.69 GFER (0.46) RAB9AGFERKDM4ENPC1POLB
SCHEMBL857530 0.68 ALDH1A1 (0.39) RAB9ANPC1TNKSTNKS2PARP2

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-5296609-A Antiischemic agents SYNTEX PHARMACEUTICALS, LTD. (GB) 1994-03-22 US disclosed