SCHEMBL23875844

SCHEMBL23875844

Cc1c2c([nH]c3ccccc32)c(Br)c2c3ccccc3n(C(=O)OC(C)(C)C)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
PRKD3 O94806 4/20 0.37
PRKCG P05129 4/20 0.37
PRKCB P05771 4/20 0.37
PRKCA P17252 4/20 0.37
PRKCH P24723 4/20 0.37
PRKCI P41743 4/20 0.37
PRKCE Q02156 4/20 0.37
PRKCQ Q04759 4/20 0.37

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
SCHEMBL23875379 0.84 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL8317435 0.79 CDK4 (0.62) CDK4CCND1MAPTPRKD3PRKCG
SCHEMBL22401390 0.78 CDK4 (0.47) CDK4CCND1PRKD3PRKCGPRKCB
SCHEMBL17897787 0.76 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3CDK4
SCHEMBL30058413 0.74 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3CDK1
SCHEMBL23875375 0.74 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3CDK1
SCHEMBL3203112 0.73 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL23875597 0.73 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3CDK4
SCHEMBL13696680 0.72 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL30022454 0.72 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3MAPT

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
WO-2021195346-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-09-30 WO disclosed