SCHEMBL30925926

SCHEMBL30925926

CCOc1cccc(/C=N/NC(=O)c2cncc(-c3ccc(OC)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ SCN2A Q99250 3/20 0.55
▸ SCN10A Q9Y5Y9 3/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RAB9A P51151 2/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MGAM O43451 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL24993390 1.00 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL29214896 1.00 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL30925901 0.96 ALDH1A1 (0.57) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL24993513 0.96 ALDH1A1 (0.57) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL29214942 0.96 ALDH1A1 (0.57) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL29215121 0.93 HPGD (0.53) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL24993392 0.93 HPGD (0.53) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL24993400 0.92 HPGD (0.63) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL29214775 0.92 HPGD (0.63) ALDH1A1HPGDCYP2C19CYP1A2GAA
SCHEMBL24993618 0.92 SCN2A (0.55) ALDH1A1HPGDCYP2C19CYP1A2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 — — CN claimed
CN-118076348-A N-acylhydrazone compounds capable of inhibiting NAV 1.7 and/or NAV 1.8, methods of making, compositions, uses, methods of treatment and kits using the same 欧罗法玛实验室股份公司 2024-05-24 — — CN disclosed
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