SCHEMBL31532200

SCHEMBL31532200

Clc1ccc(-c2ccccc2Oc2ncc(Cl)cn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX5AP P20292 6/20 0.39
▸ FEN1 P39748 6/20 0.39
▸ POLB P06746 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ GRM4 Q14833 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
SCHEMBL16915375 1.00 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL31532183 0.84 KMT2A (0.49) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL16915372 0.84 KMT2A (0.49) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL16915422 0.82 KMT2A (0.53) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL9192280 0.80 L3MBTL1 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL16915418 0.79 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL18074955 0.78 KDM4E (0.36) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL11132548 0.77 KMT2A (0.45) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL16915413 0.75 NPSR1 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1
SCHEMBL31532189 0.75 ADORA1 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6L3MBTL1

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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