SCHEMBL10691543

SCHEMBL10691543

CC1C(=O)[N+](C)(C)Oc2cc(C(=O)C=Cc3ccc(Cl)cc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.53
MAOA P21397 4/20 0.53
ABCG2 Q9UNQ0 1/20 0.48
CXCL12 P48061 3/20 0.46
CYP1B1 Q16678 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
MET P08581 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL10694710 0.90 XDH (0.49) MAOBMAOACXCL12CYP1B1RELA
SCHEMBL10693667 0.80 MAOB (0.53) MAOBMAOAABCG2CXCL12CYP1B1
SCHEMBL10693989 0.79 MAOB (0.52) MAOBMAOAABCG2CXCL12CYP1B1
4',4-Dichlorochalcone SCHEMBL659211 0.70 MAOB (0.86) MAOBMAOAABCG2CXCL12CYP1B1
4',4-Dichlorochalcone SCHEMBL659210 0.70 MAOB (0.86) MAOBMAOAABCG2CXCL12CYP1B1
SCHEMBL10693327 0.70 XDH (0.49) MAOBMAOACXCL12CYP1B1RELA
SCHEMBL10691942 0.70 XDH (0.49) MAOBMAOAABCG2CXCL12CYP1B1
SCHEMBL16052573 0.70 MAOB (0.85) MAOBMAOACXCL12MEN1KMT2A
SCHEMBL16052572 0.70 MAOB (0.85) MAOBMAOACXCL12MEN1KMT2A
4',4-Dichlorochalcone SCHEMBL11819257 0.69 MAOB (0.83) MAOBMAOAABCG2CXCL12CYP1B1

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-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed