SCHEMBL13634876

SCHEMBL13634876

CCCNC(=O)c1cc(CCl)ccc1NC(=O)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.41
GPR6 P46095 6/20 0.40
SCD O00767 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX2 P34913 1/20 0.35
CYP2J2 P51589 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
FGFR1 P11362 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
MCHR1 Q99705 1/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 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
SCHEMBL13634885 0.95 GLS (0.41) GLSGPR6SCDCYP2C9CYP2C19
SCHEMBL13634583 0.91 GLS (0.39) GLSGPR6SCDCYP2C9CYP2C19
SCHEMBL13634642 0.91 PARP1 (0.40) GLSGPR6CYP2C9MCHR1PARP1
SCHEMBL13634832 0.91 GPR6 (0.39) GLSGPR6SCDCYP2C9CYP2C19
SCHEMBL13634618 0.90 GPR6 (0.38) GLSGPR6SCDFGFR1MCHR1
SCHEMBL13634687 0.90 GPR6 (0.38) GLSGPR6SCDMCHR1PARP1
SCHEMBL13634818 0.90 MCHR1 (0.41) GLSGPR6SCDMCHR1PARP1
SCHEMBL13634705 0.90 GPR6 (0.39) GLSGPR6SCDMCHR1PARP1
SCHEMBL13634716 0.89 HRH3 (0.40) GPR6SCDOPRK1KMT2AFGFR1
SCHEMBL13634838 0.89 SCD (0.41) GLSGPR6SCDCYP2C9CYP2C19

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed