SCHEMBL25003133

SCHEMBL25003133

CCOc1ccc(-c2cc(F)cc(C(=O)NN)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ AHR P35869 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ SCN2A Q99250 3/20 0.49
▸ SCN10A Q9Y5Y9 3/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ ALPL P05186 1/20 0.44
▸ TP53 P04637 3/20 0.44
▸ GAA P10253 1/20 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
SCHEMBL25002937 0.86 NPC1 (0.55) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL25003160 0.84 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL25003805 0.81 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL24993306 0.80 SCN10A (0.69) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL27237481 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL25003170 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDPOLB
SCHEMBL25003137 0.75 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL25003135 0.73 ALDH1A1 (0.61) ALDH1A1MAPTKDM4ENPSR1ADORA3
SCHEMBL25003126 0.73 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ENPSR1ADORA3
SCHEMBL25003151 0.73 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDPOLB

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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