SCHEMBL13634886

SCHEMBL13634886

CCCNC(=O)c1cc(CN2CCC(F)CC2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.38
PARP1 P09874 1/20 0.37
TNK1 Q13470 1/20 0.37
GLS O94925 1/20 0.37
MCHR1 Q99705 2/20 0.36
GRM2 Q14416 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
F10 P00742 2/20 0.35
DRD4 P21917 1/20 0.35
GPR6 P46095 1/20 0.35
PIN1 Q13526 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
SCHEMBL13638824 0.94 KMT2A (0.39) ACKR3PARP1TNK1MCHR1GRM2
SCHEMBL13634884 0.94 S1PR1 (0.40) F10DRD4
SCHEMBL13634563 0.92 PDCD1 (0.37) ACKR3PARP1TNK1GLSMCHR1
SCHEMBL13634760 0.90 GLS (0.40) GLSSCDSCD5GPR6PIN1
SCHEMBL13634887 0.90 GLS (0.36) PARP1TNK1GLSMCHR1PDCD1
SCHEMBL13634924 0.90 GLS (0.39) GLSSCDSCD5GPR6PIN1
SCHEMBL13634751 0.90 GLS (0.39) PARP1TNK1GLSSCDSCD5
SCHEMBL13634915 0.89 LMNA (0.37) PARP1TNK1GLSPDCD1CD274
SCHEMBL13638951 0.89 PDCD1 (0.40) ACKR3PARP1TNK1MCHR1GRM2
SCHEMBL13638833 0.88 GRM2 (0.39) ACKR3PARP1TNK1MCHR1GRM2

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