SCHEMBL13638774

SCHEMBL13638774

COCCNC(=O)c1cc(CN2C[C@H](C)[C@H]2C)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.38
SCD5 Q86SK9 2/20 0.38
PIN1 Q13526 3/20 0.34
NAPEPLD Q6IQ20 1/20 0.34
PIM1 P11309 4/20 0.33
PIM3 Q86V86 4/20 0.33
PIM2 Q9P1W9 4/20 0.33
CHEK1 O14757 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL13634906 0.94 SCD (0.38) SCDSCD5PIN1NAPEPLDPIM1
SCHEMBL13638951 0.90 PDCD1 (0.40) SCDSCD5PIN1HPGDPDCD1
SCHEMBL13639003 0.90 PIN1 (0.37) SCDSCD5PIN1NAPEPLDPIM1
SCHEMBL13162738 0.90 NAPEPLD (0.35) SCDSCD5PIN1NAPEPLDCHEK1
SCHEMBL13270441 0.90 NAPEPLD (0.35) SCDSCD5PIN1NAPEPLDCHEK1
SCHEMBL13164119 0.90 NAPEPLD (0.35) SCDSCD5PIN1NAPEPLDCHEK1
SCHEMBL2770055 0.89 PARP1 (0.38) SCDSCD5PIN1
SCHEMBL2770606 0.89 PIN1 (0.37) SCDSCD5PIN1NAPEPLDPIM1
SCHEMBL2770504 0.89 PIN1 (0.37) SCDSCD5PIN1NAPEPLDPIM1
SCHEMBL13638916 0.89 HDAC8 (0.43) SCDSCD5PIN1

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