SCHEMBL13634751

SCHEMBL13634751

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.39
DRD2 P14416 1/20 0.37
PIN1 Q13526 3/20 0.37
NAPEPLD Q6IQ20 1/20 0.36
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
CHEK1 O14757 2/20 0.35
GPR6 P46095 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL13634578 0.95 GLS (0.39) GLSDRD2PIN1NAPEPLDSCD
SCHEMBL13634918 0.95 GLS (0.39) GLSPIN1NAPEPLDSCDSCD5
SCHEMBL13634760 0.94 GLS (0.40) GLSDRD2PIN1NAPEPLDSCD
SCHEMBL13634924 0.94 GLS (0.39) GLSPIN1NAPEPLDSCDSCD5
SCHEMBL13634579 0.92 GLS (0.38) GLSPIN1NAPEPLDSCDSCD5
SCHEMBL13634663 0.91 GLS (0.38) GLSPIN1NAPEPLDSCDSCD5
SCHEMBL13634667 0.91 GLS (0.38) GLSDRD2PIN1NAPEPLDSCD
SCHEMBL13634573 0.91 KMT2A (0.42)
SCHEMBL2770504 0.91 PIN1 (0.37) PIN1NAPEPLDSCDSCD5CHEK1
SCHEMBL13634886 0.90 ACKR3 (0.38) GLSPIN1SCDSCD5GPR6

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