SCHEMBL24993372

SCHEMBL24993372

CCOc1ccc(-c2nc(C(=O)NN)cnc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 4/20 0.56
▸ CNR1 P21554 8/20 0.48
▸ SCN2A Q99250 3/20 0.47
▸ SCN10A Q9Y5Y9 3/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL24993371 0.87 ALDH1A1 (0.53) ALDH1A1MAPTCNR1SCN2ASCN10A
SCHEMBL24993367 0.86 ALDH1A1 (0.55) ALDH1A1MAPTCNR1SCN2ASCN10A
SCHEMBL24993339 0.86 MAPT (0.52) ALDH1A1MAPTCNR1SCN2ASCN10A
SCHEMBL24994721 0.86 RAB9A (0.47) ALDH1A1MAPTCNR1SCN2ASCN10A
SCHEMBL24993368 0.83 MAPT (0.49) ALDH1A1MAPTCNR1SCN2ASCN10A
SCHEMBL24993306 0.78 SCN10A (0.69) ALDH1A1MAPTSCN2ASCN10AKDM4E
SCHEMBL30925922 0.77 MEN1 (0.48) ALDH1A1MAPTSCN2ASCN10AMEN1
SCHEMBL24993561 0.77 ALDH1A1 (0.55) ALDH1A1MAPTSCN2ASCN10AKDM4E
SCHEMBL25003805 0.76 ALDH1A1 (0.57) ALDH1A1MAPTSCN2ASCN10AKDM4E
SCHEMBL25003126 0.74 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E

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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