SCHEMBL9145018

SCHEMBL9145018

CCc1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
GFER P55789 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
HEXA P06865 1/20 0.43
HEXB P07686 1/20 0.43
CXCR2 P25025 1/20 0.42
KIF11 P52732 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TNKS O95271 3/20 0.39
TNKS2 Q9H2K2 3/20 0.39
WNT3A P56704 2/20 0.39
NPBWR1 P48145 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
TYMP P19971 1/20 0.39
SCN2A Q99250 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7248333 0.87 GFER (0.46) RAB9AGFERKDM4ENPC1POLB
SCHEMBL9422993 0.84 RAB9A (0.41) RAB9AGFERKDM4ENPC1POLB
SCHEMBL2821562 0.81 KDM4E (0.39) RAB9AKDM4ENPC1POLBTNKS
SCHEMBL20853413 0.79 RAB9A (0.48) RAB9AGFERKDM4ENPC1POLB
SCHEMBL17803376 0.79 RAB9A (0.48) RAB9AGFERKDM4ENPC1POLB
SCHEMBL8797359 0.77 GFER (0.50) RAB9AGFERKDM4ENPC1POLB
SCHEMBL7486822 0.77 ALDH1A1 (0.39) RAB9AGFERKDM4ENPC1POLB
SCHEMBL2780530 0.77 POLB (0.41) RAB9AKDM4ENPC1POLBCXCR2
SCHEMBL20853414 0.74 RAB9A (0.41) RAB9AGFERKDM4ENPC1POLB
SCHEMBL2652520 0.74

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-5378847-A Cyclization by forming a bond between carbon and nitrogen, reaction with formaldehyde and amine SYNTEX PHARMACEUTICALS, LTD. (GB) 1995-01-03 US disclosed
US-5296609-A Antiischemic agents SYNTEX PHARMACEUTICALS, LTD. (GB) 1994-03-22 US disclosed