SCHEMBL24994725

SCHEMBL24994725

CCOc1ccc(-c2nc(C(=O)OC)cnc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ALPL P05186 2/20 0.43
▸ ALPI P09923 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL24993368 0.87 MAPT (0.49) KDM4ENPC1RAB9AALPLALPI
SCHEMBL24994721 0.83 RAB9A (0.47) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL24994733 0.81 NPC1 (0.46) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL24994723 0.81 ALDH1A1 (0.48) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL24994714 0.81 NPC1 (0.46) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL24994722 0.81 NPC1 (0.46) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL29215098 0.78 MEN1 (0.46) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL29215094 0.78 MEN1 (0.46) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL30925906 0.78 MEN1 (0.46) KDM4ENPC1RAB9AMAPTHPGD
SCHEMBL25002920 0.74 NPC1 (0.52) KDM4ENPC1RAB9AMAPTHPGD

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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