SCHEMBL25003146

SCHEMBL25003146

COc1ccc(-c2ccnc(C(=O)NN)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ MAPT P10636 6/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ IKBKB O14920 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL25003151 0.88 ALDH1A1 (0.57) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25003141 0.85 KMO (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25003132 0.85 CYP2D6 (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25003143 0.85 MEN1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25002894 0.84 KMT2A (0.56) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25003145 0.83 KMT2A (0.48) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL25003139 0.81 KMO (0.68) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL30489168 0.81 MEN1 (0.69) MEN1KMT2ANPC1RAB9AKMO
SCHEMBL3133736 0.81 MAPT (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL25003144 0.80 KMO (0.51) ALDH1A1LMNAMEN1KMT2ANPC1

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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