SCHEMBL31078377

SCHEMBL31078377

FC(F)(F)c1cnc2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.41
APP P05067 1/20 0.41
KIF11 P52732 1/20 0.41
METAP2 P50579 1/20 0.40
TRPA1 O75762 2/20 0.39
S1PR1 P21453 2/20 0.39
KCNH2 Q12809 1/20 0.38
AURKA O14965 1/20 0.38
ASH1L Q9NR48 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
MAPT P10636 1/20 0.37
MET P08581 1/20 0.36

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
SCHEMBL31194365 0.86 BRD4 (0.42) HSD17B10KDM4ERAB9ASMN1; SMN2BRD4
SCHEMBL4146607 0.81 BRD4 (0.44) BRD4APPKIF11METAP2KCNH2
SCHEMBL9999435 0.76 PARP1 (0.49) HSD17B10KDM4E
SCHEMBL15058364 0.75 AHR (0.45) KDM4EBRD4APPTRPA1PIK3C3
SCHEMBL26823824 0.74 BRD4 (0.39) BRD4APPPIK3C3
SCHEMBL22803967 0.73 EPHX2 (0.55) RAB9AMAPT
SCHEMBL15058223 0.72 AHR (0.47) KDM4EBRD4APPPIK3C3
SCHEMBL29745271 0.72 MAPT (0.57) KDM4ES1PR1MAPT
SCHEMBL1265563 0.72 MAPT (0.57) KDM4ES1PR1MAPT
SCHEMBL19250504 0.72 DYRK1A (0.53) KDM4ERAB9ASMN1; SMN2METAP2TRPA1

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
WO-2024175557-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYL-SULFOXIME-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2024-08-29 WO disclosed
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed