SCHEMBL9976503

SCHEMBL9976503

Cc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.70
ESR1 P03372 1/20 0.45
ESRRG P62508 1/20 0.45
ESR2 Q92731 1/20 0.45
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL9976495 0.92 F10 (0.70) F10ESRRG
SCHEMBL9979769 0.90 F10 (0.71) F10LMNASMN1; SMN2
SCHEMBL9976455 0.82 F10 (1.00) F10NPC1RAB9A
SCHEMBL9976504 0.81 F10 (0.72) F10
SCHEMBL9976498 0.79 F10 (0.76) F10NPC1RAB9ASMN1; SMN2
SCHEMBL9979770 0.74 F10 (0.76) F10
SCHEMBL9928647 0.74 F10 (0.84) F10
SCHEMBL5399426 0.74 F10 (1.00) F10
SCHEMBL5409814 0.74 F10 (0.84) F10
SCHEMBL5406397 0.73 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