SCHEMBL24993638

SCHEMBL24993638

CCOc1ccc(-c2cnc(-c3ccccc3)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 8/20 0.52
▸ HPGD P15428 7/20 0.52
▸ MAPT P10636 6/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 3/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ MGAM O43451 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ XBP1 P17861 1/20 0.44
▸ MEN1 O00255 4/20 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
SCHEMBL24994394 0.88 RAB9A (0.52) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL30925925 0.87 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL24994395 0.87 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL24994392 0.86 ALDH1A1 (0.49) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL29215180 0.82 SCN2A (0.57) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL30925931 0.82 SCN2A (0.57) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL27237401 0.82 KMT2A (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL25003158 0.82 KMT2A (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL29215186 0.82 SCN2A (0.57) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL31026509 0.80 ALDH1A1 (0.52) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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 3 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
WO-2023010191-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 — — WO disclosed
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