SCHEMBL30925925

SCHEMBL30925925

CCOc1ccc(-c2cnc(C)c(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.52
▸ TP53 P04637 2/20 0.52
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MGAM O43451 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44

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
SCHEMBL24994395 0.91 ALDH1A1 (0.50) ALDH1A1TP53RAB9ASMN1; SMN2PKM
SCHEMBL24994392 0.90 ALDH1A1 (0.49) ALDH1A1TP53RAB9ASMN1; SMN2PKM
SCHEMBL24993638 0.87 ALDH1A1 (0.52) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL24994394 0.86 RAB9A (0.52) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL29215186 0.85 SCN2A (0.57) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL30925931 0.85 SCN2A (0.57) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL29215180 0.85 SCN2A (0.57) ALDH1A1TP53RAB9ASMN1; SMN2HPGD
SCHEMBL31026509 0.83 ALDH1A1 (0.52) ALDH1A1TP53RAB9ASMN1; SMN2PKM
SCHEMBL30925922 0.83 MEN1 (0.48) ALDH1A1TP53RAB9ASMN1; SMN2PKM
SCHEMBL25002950 0.81 ALDH1A1 (0.54) ALDH1A1TP53RAB9ASMN1; SMN2HPGD

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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