SCHEMBL11568932

SCHEMBL11568932

CC(C)(C)NC(=O)NC1(C#N)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSS P25774 5/20 0.36
CTSK P43235 5/20 0.36
CTSB P07858 4/20 0.36
CTSL P07711 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL11562969 0.96 CTSL (0.36) MEN1POLBKMT2ACTSSCTSK
SCHEMBL8040888 0.75 CTSL (0.41) MEN1POLBKMT2ACTSSCTSK
SCHEMBL26880884 0.74 CTSL (0.38) CTSSCTSKCTSBCTSLRXFP1
SCHEMBL1586413 0.74 CTSL (0.53) MEN1KMT2ACTSSCTSKCTSB
SCHEMBL23795558 0.73 CTSB (0.42) MEN1POLBKMT2ACTSSCTSK
SCHEMBL3831093 0.72 CTSL (0.45) MEN1POLBKMT2ACTSSCTSK
SCHEMBL10107201 0.72 ALDH1A1 (0.39) MEN1POLBKMT2AKDM4EATM
SCHEMBL22455228 0.71 CTSC (0.41) CTSSCTSKCTSBCTSL
SCHEMBL16372238 0.71 CTSC (0.38) MEN1POLBKMT2ACTSSCTSK
SCHEMBL24848504 0.70 CTSL (0.43) CTSSCTSKCTSBCTSLRXFP1

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
US-4156738-A Ureidonitriles useful as antihypertensives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-05-29 US disclosed