SCHEMBL8317995

SCHEMBL8317995

COC(=O)N/N=C(/c1ccc(Cl)cc1)c1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CFTR P13569 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MGLL Q99685 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
FADS1 O60427 1/20 0.39
MIF P14174 1/20 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
SCHEMBL8316276 0.74 SMN1; SMN2 (0.49) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6571403 0.73 NPC1 (0.59) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13834567 0.73 RAB9A (0.72) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13834568 0.73 RAB9A (0.72) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL6571399 0.73 NPC1 (0.59) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL14400125 0.71 ABL1 (0.48) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL14399704 0.71 ABL1 (0.44) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL29963430 0.70 MAPT (0.71) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL332626 0.70 MAPT (0.71) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL9419873 0.70 MAPT (0.52) RAB9AKDM4EALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed