SCHEMBL30319976

SCHEMBL30319976

O=c1nc(S)n2ccc(C3CC3)cc2c1-c1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 11/20 0.71
▸ MAPK14 Q16539 3/20 0.35
▸ DHODH Q02127 2/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL24155083 0.86 MAT2A (0.71) MAT2AMAPK14DHODHMAPK13MAPK12
SCHEMBL24110060 0.83 MAT2A (1.00) MAT2A
SCHEMBL25304498 0.83 MAT2A (0.70) MAT2AMAPK14DHODHMAPK13MAPK12
SCHEMBL25305158 0.76 MAT2A (0.58) MAT2AMAPK14DHODHMAPK13MAPK12
SCHEMBL30283151 0.76 MAT2A (0.58) MAT2AMAPK14DHODHMAPK13MAPK12
SCHEMBL25305119 0.76 MAT2A (0.58) MAT2AMAPK14DHODHMAPK13MAPK12
SCHEMBL24109648 0.72 MAT2A (0.80) MAT2A
SCHEMBL28889151 0.71 MAT2A (0.79) MAT2A
SCHEMBL24110092 0.71 MAT2A (0.78) MAT2A
SCHEMBL25256984 0.71 MAT2A (0.54) MAT2AGABRA1GABRG2GABRB3

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
CN-115867541-A Aminopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-03-28 — — CN disclosed
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