SCHEMBL25003136

SCHEMBL25003136

CC(C)Oc1ccc(-c2cc(C(=O)NN)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.50
HDAC1 Q13547 5/20 0.49
KDM1A O60341 3/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FDPS P14324 1/20 0.46
MCL1 Q07820 1/20 0.45
PARP10 Q53GL7 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
SCHEMBL25003821 0.85 HDAC1 (0.64) SCN10AHDAC1KDM1AHDAC2HDAC8
SCHEMBL25002913 0.84 KDM4E (0.57) SCN10AHDAC1KDM1AHDAC2HDAC8
SCHEMBL25003135 0.84 ALDH1A1 (0.61) SCN10AHDAC1KDM1AHDAC2HDAC8
SCHEMBL25003799 0.82 HDAC1 (0.49) SCN10AHDAC1KDM1AHDAC2HDAC8
SCHEMBL25003823 0.82 CYP2D6 (0.51) SCN10AHDAC1KDM1AHDAC2HDAC8
SCHEMBL25003141 0.80 KMO (0.48) ALDH1A1TP53LMNAMAPK1MAPT
SCHEMBL25003825 0.80 SCN10A (0.68) SCN10AHDAC1KDM1AHDAC2HDAC8
SCHEMBL25003138 0.79 FDPS (0.57) ALDH1A1TP53LMNAMAPK1MAPT
SCHEMBL25003812 0.78 MAP4K4 (0.57) HDAC1KDM1AHDAC2HDAC8HDAC6
SCHEMBL3000272 0.78 KAT6A (0.60) HDAC1KDM1AALDH1A1KMT2ALOXL2

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