SCHEMBL24994722

SCHEMBL24994722

CCOc1ccc(-c2nc(C(=O)OC)cnc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MITF O75030 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SCN2A Q99250 2/20 0.42
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL24993339 0.86 MAPT (0.52) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL24994721 0.86 RAB9A (0.47) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL24994723 0.85 ALDH1A1 (0.48) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL24994733 0.85 NPC1 (0.46) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL24994714 0.85 NPC1 (0.46) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL24994725 0.81 KDM4E (0.45) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL24993543 0.77 NPC1 (0.52) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL24994319 0.76 SCN10A (0.64) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL29214993 0.76 KMT2A (0.47) NPC1RAB9AKDM4ECNR1SMN1; SMN2
SCHEMBL29214987 0.76 KMT2A (0.47) NPC1RAB9AKDM4ECNR1SMN1; 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 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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