SCHEMBL18166387

SCHEMBL18166387

CC(NC(=O)Oc1cc(-c2ccc(F)cc2Cl)cc(-n2nnnc2C2CC2)c1)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
PRCP P42785 1/20 0.33
CTSA P10619 1/20 0.33
MAPK1 P28482 1/20 0.32
IDH1 O75874 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP11B2 P19099 1/20 0.30
MAPT P10636 1/20 0.30
IDO1 P14902 1/20 0.30
WDR5 P61964 1/20 0.30

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
SCHEMBL18166360 0.89 CTSA (0.33) CTSANPC1RAB9ASMN1; SMN2CYP11B2
SCHEMBL18166369 0.87 P2RX3 (0.38) CTSANPC1RAB9AMAPTWDR5
SCHEMBL18166423 0.86 P2RX3 (0.40) TP53PRCPIDH1WDR5
SCHEMBL18166458 0.86 P2RX3 (0.34) CTSANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18166418 0.84 P2RX3 (0.39) CTSAMAPK1IDH1NPC1RAB9A
SCHEMBL18036347 0.84 TP53 (0.43) TP53PRCPSMN1; SMN2MAPTWDR5
SCHEMBL18036313 0.84 TP53 (0.43) TP53PRCPSMN1; SMN2MAPTWDR5
SCHEMBL18166457 0.78 P2RX3 (0.42) TP53PRCP
SCHEMBL10244222 0.78 NAMPT (0.45) TP53PRCPMAPK1IDO1WDR5
SCHEMBL10243831 0.77 P2RX3 (0.40) CYP11B2WDR5

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed