SCHEMBL8718154

SCHEMBL8718154

COC(=O)CNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.64
PPARA Q07869 2/20 0.55
EPHX2 P34913 1/20 0.53
XDH P47989 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
CD274 Q9NZQ7 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.48
TRPA1 O75762 1/20 0.47
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
CHRM4 P08173 1/20 0.46
FLT1 P17948 2/20 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
SCHEMBL26564978 0.89 PARP15 (0.54) EGLN1PPARAEPHX2XDHMEN1
SCHEMBL8407408 0.84 ROCK2 (0.59) EGLN1XDHMEN1KMT2AKDM4E
SCHEMBL8407717 0.82 HDAC3 (0.53) EGLN1PPARAMEN1KMT2AMAPK1
SCHEMBL8947242 0.82 KMT2A (0.67) XDHMEN1KMT2AKDM4EGAA
SCHEMBL5632141 0.81 RAB9A (0.67) EPHX2MEN1KMT2AKDM4EGAA
SCHEMBL1921655 0.80 EGLN1 (0.65) EGLN1XDHKDM4EGAAMAPK1
SCHEMBL26568178 0.80 KMT2A (0.59) EPHX2MEN1KMT2AKDM4EGAA
SCHEMBL8407405 0.79 MAPT (0.65) EGLN1MEN1KMT2AKDM4EGAA
SCHEMBL9269300 0.79 RAB9A (0.48) EGLN1PPARAEPHX2MEN1KMT2A
SCHEMBL1921875 0.79 EGLN1 (1.00) EGLN1FLT1EGLN3VEGFA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed