SCHEMBL31532189

SCHEMBL31532189

Clc1cnc(Oc2ccccc2-c2cccc(Cl)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ ALOX5AP P20292 5/20 0.43
▸ FEN1 P39748 5/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TDO2 P48775 1/20 0.41
▸ SCN2A Q99250 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NUDT1 P36639 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL18223959 1.00 ADORA1 (0.43) ADORA1ADORA2ADHFRALOX5APFEN1
SCHEMBL16915377 0.84 ALOX5AP (0.45) ADORA1ADORA2AALOX5APFEN1CYP1A2
SCHEMBL31532178 0.84 ALOX5AP (0.45) ADORA1ADORA2AALOX5APFEN1CYP1A2
SCHEMBL16915422 0.83 KMT2A (0.53) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL16915413 0.79 NPSR1 (0.50) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL9192280 0.78 L3MBTL1 (0.47) CYP1A2CYP3A4CYP2C19L3MBTL1CYP2D6
SCHEMBL31532200 0.75 CYP1A2 (0.41) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL16915375 0.75 CYP1A2 (0.41) ALOX5APFEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3797410 0.74 HTR7 (0.55) CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL16915411 0.73 FFAR4 (0.43) ALOX5APFEN1CYP1A2CYP3A4CYP2C19

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-111574510-B Pyrimidine as herbicide Oxyphenyl derivatives FMC 公司 2025-03-07 — — CN disclosed
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