SCHEMBL25002907

SCHEMBL25002907

CCCOc1ccc(-c2ccnc(C(=O)OC)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.54
ALPL P05186 1/20 0.51
PDE10A Q9Y233 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DHODH Q02127 1/20 0.44
JAK2 O60674 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PLK1 P53350 1/20 0.43
CYP19A1 P11511 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
KMO O15229 1/20 0.43

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
SCHEMBL25003566 0.95 ALPL (0.57) PLA2G2AALPLMAPTMEN1ALDH1A1
SCHEMBL25003564 0.89 NPC1 (0.55) PLA2G2AALPLMAPTMEN1ALDH1A1
SCHEMBL25003143 0.86 MEN1 (0.48) PLA2G2AALPLPDE10AMAPTMEN1
SCHEMBL25002894 0.85 KMT2A (0.56) PLA2G2AALPLMAPTMEN1ALDH1A1
SCHEMBL29255040 0.81 MCL1 (0.52) MEN1ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL25003132 0.81 CYP2D6 (0.50) PLA2G2AALPLMAPTMEN1ALDH1A1
SCHEMBL25003570 0.80 KMO (0.50) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL25003565 0.80 KMO (0.50) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL25002898 0.79 KMO (0.68) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12538183 0.79 NPC1 (0.57) PLA2G2AMAPTMEN1KMT2ASMN1; SMN2

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