SCHEMBL9976498

SCHEMBL9976498

Cc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.76
RAB9A P51151 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL9976499 0.92 F10 (0.76) F10RAB9AL3MBTL1
SCHEMBL9979748 0.91 F10 (0.77) F10
SCHEMBL9976455 0.86 F10 (1.00) F10RAB9ANPC1
SCHEMBL9976500 0.84 F10 (0.81) F10RAB9A
SCHEMBL9976501 0.82 F10 (0.68) F10RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL9976503 0.79 F10 (0.70) F10RAB9ASMN1; SMN2NPC1
SCHEMBL5399426 0.78 F10 (1.00) F10
SCHEMBL9928647 0.78 F10 (0.84) F10
SCHEMBL5409814 0.78 F10 (0.84) F10
SCHEMBL5406397 0.78 F10 (0.83) F10

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-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed