SCHEMBL25002913

SCHEMBL25002913

COC(=O)c1ccnc(-c2ccc(OC(C)C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
KDM6B O15054 2/20 0.57
KDM5C P41229 2/20 0.57
KDM4C Q9H3R0 2/20 0.57
KDM2A Q9Y2K7 2/20 0.57
KDM3A Q9Y4C1 2/20 0.57
JMJD6 Q6NYC1 2/20 0.51
SCN10A Q9Y5Y9 1/20 0.49
MCL1 Q07820 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM1A O60341 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FDPS P14324 1/20 0.45

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
SCHEMBL25003822 0.86 KDM4E (0.63) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25003136 0.84 SCN10A (0.50) SCN10AMCL1ALDH1A1LMNATP53
SCHEMBL27997808 0.84 KDM4E (0.69) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL31211664 0.83 KDM4E (0.60) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25002925 0.82 NPC1 (0.59) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3714115 0.81 KDM4E (0.65) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29141517 0.81 KDM4E (0.65) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL28509907 0.81 KDM4E (0.61) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL25002931 0.81 SCN10A (0.67) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL3718393 0.80 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A

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