SCHEMBL31305531

SCHEMBL31305531

Clc1ccc(Cc2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ HTT P42858 4/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL2865484 1.00 SMN1; SMN2 (0.41) SMN1; SMN2PIK3CAPIK3CBPIK3CGHTT
SCHEMBL31305562 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2868184 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL26110323 0.90 PIK3CA (0.39) PIK3CAPIK3CBPIK3CGHTTTP53
SCHEMBL2871685 0.89 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL27967986 0.87 SMN1; SMN2 (0.42) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2032427 0.86 MEN1 (0.42) SMN1; SMN2HTTLMNARAB9AMAPT
SCHEMBL26109576 0.86 MGAM (0.41) SMN1; SMN2PIK3CAPIK3CBPIK3CGHTT
SCHEMBL31305434 0.86 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2867215 0.86 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9

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-118922584-A Surface treating agent for copper or copper alloy 四国化成工业株式会社 2024-11-08 — — CN disclosed
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