SCHEMBL25003826

SCHEMBL25003826

COc1ccc(-c2nccc(C(=O)NN)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ MAPT P10636 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ CLK4 Q9HAZ1 5/20 0.51
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ CLK1 P49759 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL25003126 0.88 ALDH1A1 (0.51) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL25003134 0.85 NPC1 (0.51) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL25003142 0.85 ALDH1A1 (0.53) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL25003794 0.85 PLK1 (0.49) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL29961676 0.84 NPC1 (0.56) CA1CA2MAPTNPC1MEN1
SCHEMBL25002922 0.84 KMT2A (0.56) CA1CA2MAPTNPC1MEN1
SCHEMBL25003153 0.83 KMT2A (0.48) NPC1MEN1KMT2AKDM4ERAB9A
SCHEMBL25003131 0.81 MAP4K4 (0.55) MAPTMEN1KMT2ACLK4ALDH1A1
SCHEMBL25003827 0.80 FDPS (0.46) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL27237428 0.76 KMT2A (0.58) MAPTNPC1MEN1KMT2AALDH1A1

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-2023010192-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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