SCHEMBL13639003

SCHEMBL13639003

COCCNC(=O)c1cc(COC)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.37
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
CHEK1 O14757 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
NAPEPLD Q6IQ20 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
OPRK1 P41145 1/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 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
SCHEMBL13163170 0.94 PIN1 (0.36) PIN1SCDSCD5CHEK1HRH3
SCHEMBL2770606 0.94 PIN1 (0.37) PIN1SCDSCD5CHEK1HRH3
SCHEMBL2770504 0.94 PIN1 (0.37) PIN1SCDSCD5CHEK1HRH3
SCHEMBL2773453 0.94 PIN1 (0.35) PIN1SCDSCD5CHEK1HRH3
SCHEMBL2771174 0.93 PIN1 (0.37) PIN1SCDSCD5CHEK1HRH3
SCHEMBL13163169 0.93 PIN1 (0.35) PIN1SCDSCD5CHEK1HRH3
SCHEMBL2770287 0.93 PIN1 (0.36) PIN1SCDSCD5CHEK1HRH3
SCHEMBL15888680 0.93 PIN1 (0.36) PIN1SCDSCD5CHEK1HRH3
SCHEMBL13270405 0.93 PIN1 (0.36) PIN1SCDSCD5HRH3NAPEPLD
SCHEMBL2774531 0.93 NAPEPLD (0.37) PIN1SCDSCD5CHEK1HRH3

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