SCHEMBL25003172

SCHEMBL25003172

CCOc1ccc(-c2cc(C(F)(F)F)cc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ TP53 P04637 2/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ HPGD P15428 8/20 0.46
▸ MAPT P10636 7/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MGAM O43451 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL25003170 0.88 ALDH1A1 (0.50) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL27237481 0.88 ALDH1A1 (0.50) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL29215180 0.84 SCN2A (0.57) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL30925931 0.84 SCN2A (0.57) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL25003158 0.84 KMT2A (0.58) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL29215186 0.84 SCN2A (0.57) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL27237401 0.84 KMT2A (0.58) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL29215098 0.82 MEN1 (0.46) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL30925906 0.82 MEN1 (0.46) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL29215094 0.82 MEN1 (0.46) ALDH1A1TP53RAB9AHPGDMAPT

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
Send feedback