SCHEMBL14404271

SCHEMBL14404271

CNC(=N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(CI)cn2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
KCNH2 Q12809 2/20 0.49
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL14404489 0.90 F10 (0.52) F10KCNH2
SCHEMBL14404606 0.89 F10 (0.56) F10KCNH2
SCHEMBL14404592 0.89 F10 (0.55) F10
SCHEMBL12134453 0.87 NPC1 (0.60) F10KCNH2KDM4ENPC1ALDH1A1
SCHEMBL14629802 0.86 F10 (0.47) F10KCNH2NPC1RAB9A
SCHEMBL10181291 0.86 F10 (0.51) F10KCNH2KDM4ENPC1ALDH1A1
SCHEMBL10146425 0.86 KMT2A (0.53) F10KCNH2KDM4ENPC1ALDH1A1
SCHEMBL10146320 0.86 F10 (0.65) F10KCNH2SMN1; SMN2
SCHEMBL14404273 0.84 F10 (0.62) F10KCNH2
SCHEMBL14404275 0.84 F10 (0.58) F10KCNH2KDM4ENPC1ALDH1A1

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-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed