SCHEMBL10693989

SCHEMBL10693989

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
MAOA P21397 4/20 0.52
CXCL12 P48061 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1B1 Q16678 1/20 0.43
RELA Q04206 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
SCHEMBL10693327 0.91 XDH (0.49) MAOBMAOACXCL12CYP1B1RELA
SCHEMBL10691543 0.79 MAOB (0.53) MAOBMAOACXCL12ABCG2CYP1B1
SCHEMBL10693667 0.79 MAOB (0.53) MAOBMAOACXCL12ABCG2CYP1B1
SCHEMBL9462343 0.77 MAPT (0.46) MAOBMAOACYP1B1
SCHEMBL9462345 0.77 MAPT (0.46) MAOBMAOACYP1B1
SCHEMBL10694710 0.71 XDH (0.49) MAOBMAOACXCL12CYP1B1RELA
SCHEMBL10691942 0.71 XDH (0.49) MAOBMAOACXCL12ABCG2CYP1B1
4',4-Dichlorochalcone SCHEMBL659210 0.69 MAOB (0.86) MAOBMAOACXCL12ABCG2CYP1B1
4',4-Dichlorochalcone SCHEMBL659211 0.69 MAOB (0.86) MAOBMAOACXCL12ABCG2CYP1B1
SCHEMBL16052573 0.69 MAOB (0.85) MAOBMAOACXCL12

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