SCHEMBL24993368

SCHEMBL24993368

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SCN2A Q99250 3/20 0.42
▸ SCN10A Q9Y5Y9 3/20 0.42
▸ CNR1 P21554 6/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL24994725 0.87 KDM4E (0.45) MAPTALDH1A1CNR1NPC1RAB9A
SCHEMBL24993371 0.83 ALDH1A1 (0.53) MAPTALDH1A1SCN2ASCN10ACNR1
SCHEMBL24993372 0.83 ALDH1A1 (0.56) MAPTALDH1A1SCN2ASCN10ACNR1
SCHEMBL24993339 0.82 MAPT (0.52) MAPTALDH1A1SCN2ASCN10ACNR1
SCHEMBL24993367 0.82 ALDH1A1 (0.55) MAPTALDH1A1SCN2ASCN10ACNR1
SCHEMBL29215094 0.80 MEN1 (0.46) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL29215098 0.80 MEN1 (0.46) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL30925906 0.80 MEN1 (0.46) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL25003160 0.74 ALDH1A1 (0.54) MAPTALDH1A1SCN2ASCN10ANPC1
SCHEMBL24993306 0.74 SCN10A (0.69) MAPTALDH1A1SCN2ASCN10ANPC1

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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