SCHEMBL13638935

SCHEMBL13638935

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.44
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP2J2 P51589 1/20 0.41
HPGD P15428 1/20 0.40
GPR6 P46095 3/20 0.39
SCN9A Q15858 5/20 0.39
HRH3 Q9Y5N1 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 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
SCHEMBL2772305 0.92 SCD (0.45) SCDCYP2C9EPHX2CYP2J2HPGD
SCHEMBL13634606 0.92 IRAK4 (0.43) SCDHPGDGPR6HRH3IRAK4
SCHEMBL13638763 0.90 SCD (0.42) SCDCYP2C9EPHX2CYP2J2HPGD
SCHEMBL13270708 0.90 SCD (0.43) SCDCYP2C9EPHX2CYP2J2HPGD
SCHEMBL13638934 0.89 SCD (0.49) SCDHPGDGPR6HRH3LMNA
SCHEMBL13638941 0.89 MAP3K7 (0.43) SCDCYP2C9EPHX2CYP2J2GPR6
SCHEMBL13638995 0.88 SCD (0.43) SCDCYP2C9EPHX2CYP2J2HPGD
SCHEMBL13634598 0.87 HRH3 (0.42) SCDGPR6HRH3IRAK4SMN1; SMN2
SCHEMBL13634653 0.87 HRH3 (0.41) SCDGPR6HRH3IRAK4SMN1; SMN2
SCHEMBL13634527 0.86 HRH3 (0.41) SCDGPR6HRH3IRAK4CHEK1

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