SCHEMBL24993600

SCHEMBL24993600

CCOc1ccc(-c2cnc(C)c(C(=O)OC)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ MAPT P10636 6/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ SCN2A Q99250 3/20 0.48
▸ SCN10A Q9Y5Y9 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALPL P05186 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL24994337 0.86 NPC1 (0.52) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24994737 0.86 NPC1 (0.52) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24993543 0.86 NPC1 (0.52) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24993561 0.86 ALDH1A1 (0.55) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24993550 0.83 NPC1 (0.52) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL28685640 0.82 PRKDC (0.41) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL24993576 0.81 NPC1 (0.50) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24994319 0.77 SCN10A (0.64) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24994721 0.76 RAB9A (0.47) NPC1RAB9AMAPTKDM4ESCN2A
SCHEMBL24993559 0.76 ALDH1A1 (0.53) NPC1RAB9AMAPTKDM4ESCN2A

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
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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