SCHEMBL13634767

SCHEMBL13634767

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CCl)cc3C(=O)NCCCF)cs2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.37
SCD5 Q86SK9 2/20 0.37
CNR2 P34972 1/20 0.36
PIN1 Q13526 3/20 0.36
PIM1 P11309 5/20 0.36
PIM3 Q86V86 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
CHEK1 O14757 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HPGD P15428 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
GPR6 P46095 1/20 0.34
NAMPT P43490 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
SCHEMBL13634927 0.95 CNR2 (0.36) SCDSCD5CNR2PIN1PIM1
SCHEMBL13638833 0.93 GRM2 (0.39) SCDSCD5CNR2PIN1PIM1
SCHEMBL13634924 0.92 GLS (0.39) SCDSCD5PIN1PIM1PIM3
SCHEMBL2770606 0.92 PIN1 (0.37) SCDSCD5PIN1PIM1PIM3
SCHEMBL13634738 0.90 GRM2 (0.35) SCDSCD5CNR2PIN1PIM1
SCHEMBL13270650 0.90 MAPT (0.39) SCDSCD5
SCHEMBL13270769 0.90 ITK (0.36) SCDSCD5CNR2PIN1PIM1
SCHEMBL13634897 0.90 SCD (0.36) SCDSCD5CNR2PIM1PIM3
SCHEMBL13634557 0.89 S1PR1 (0.42) SCDSCD5CNR2
SCHEMBL13634749 0.89 F10 (0.38) SCDSCD5CNR2PIM1PIM3

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