SCHEMBL11266063

SCHEMBL11266063

CCCn1c(C)c(-c2ccncc2)c2cc(OC(C)(C)C(N)=O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 4/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
GMNN O75496 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
CNR1 P21554 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL11254917 0.91 KDM4E (0.41) KDM4EHSD17B10CNR2LMNATSHR
Hydrochloric Acid SCHEMBL11251082 0.90 KDM4E (0.41) KDM4EHSD17B10CNR2LMNATSHR
SCHEMBL11249243 0.89 PPARA (0.42) PLA2G2AKDM4EHSD17B10CNR2LMNA
SCHEMBL11261761 0.88 ADORA2A (0.38) PLA2G2AKDM4EHSD17B10CNR2LMNA
SCHEMBL11254185 0.87 TRPM8 (0.38) PLA2G2AKDM4EHSD17B10CNR2LMNA
SCHEMBL11262943 0.87 LMNA (0.39) PLA2G2AKDM4EHSD17B10CNR2LMNA
SCHEMBL11261247 0.85 KDM4E (0.36) PLA2G2AKDM4EHSD17B10CNR2LMNA
Hydrochloric Acid SCHEMBL11265900 0.84 KDM4E (0.48) PLA2G2AKDM4EHSD17B10CNR2LMNA
SCHEMBL11259439 0.83 KDM4E (0.45) PLA2G2AKDM4EHSD17B10CNR2LMNA
SCHEMBL11267814 0.82 HSD11B1 (0.40) CNR2LMNATSHRNPSR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015523-B1 INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR MEDICAMENTS Dr. Karl Thomae GmbH (DE) 1982-10-13 EP disclosed
US-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed
EP-0015523-A1 Indole derivatives, their preparation and their use for medicaments Dr. Karl Thomae GmbH (DE) 1980-09-17 EP disclosed