SCHEMBL14448366

SCHEMBL14448366

COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Nc2ccc(C#C[Si](C)(C)C)cn2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
KCNH2 Q12809 3/20 0.54
F2 P00734 1/20 0.54
DEGS1 O15121 3/20 0.48
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 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
SCHEMBL14366426 0.88 F10 (0.58) F10KCNH2F2DEGS1RAB9A
SCHEMBL14366428 0.87 F10 (0.56) F10KCNH2F2DEGS1RAB9A
SCHEMBL805112 0.87 RAB9A (0.58) F10KCNH2F2DEGS1RAB9A
SCHEMBL890791 0.86 F10 (0.57) F10KCNH2F2DEGS1RAB9A
SCHEMBL10177863 0.86 F10 (0.57) F10KCNH2F2DEGS1RAB9A
SCHEMBL254113 0.86 F10 (0.72) F10KCNH2F2
Hydrochloric Acid SCHEMBL160886 0.85 F10 (0.71) F10KCNH2F2
SCHEMBL14404554 0.84 F10 (0.54) F10KCNH2F2DEGS1RAB9A
SCHEMBL14345272 0.81 NPC1 (0.49) F10KCNH2F2DEGS1RAB9A
SCHEMBL14345369 0.77 RAB9A (0.53) DEGS1RAB9APOLBNPC1MEN1

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-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP disclosed