SCHEMBL13638995

SCHEMBL13638995

NS(=O)(=O)NC(=O)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.43
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP2J2 P51589 1/20 0.41
SCN9A Q15858 7/20 0.40
PIM1 P11309 1/20 0.36
GPR6 P46095 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HPGD P15428 1/20 0.35
PDE4D Q08499 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL13638763 0.93 SCD (0.42) SCDCYP2C9EPHX2CYP2J2SCN9A
SCHEMBL13634703 0.91 PDE4D (0.42) SCDGPR6HPGDPDE4D
SCHEMBL2772305 0.90 SCD (0.45) SCDCYP2C9EPHX2CYP2J2SCN9A
SCHEMBL13638935 0.88 SCD (0.44) SCDCYP2C9EPHX2CYP2J2SCN9A
SCHEMBL13270708 0.87 SCD (0.43) SCDCYP2C9EPHX2CYP2J2SCN9A
SCHEMBL13638941 0.85 MAP3K7 (0.43) SCDCYP2C9EPHX2CYP2J2GPR6
SCHEMBL13634619 0.84 SCN9A (0.43) SCDSCN9AGPR6HPGDPDE4D
SCHEMBL13162054 0.81 SCD (0.50) SCDPIM1GPR6HDAC3HDAC2
SCHEMBL13634679 0.80 IRAK4 (0.43) SCDGPR6HPGDPDE4DLMNA
SCHEMBL13634606 0.80 IRAK4 (0.43) SCDGPR6HPGDPDE4DLMNA

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