SCHEMBL13638837

SCHEMBL13638837

COCCNC(=O)c1cc(C2CCN(Cc3ccccc3)C2)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.40
SCD5 Q86SK9 2/20 0.40
CCR5 P51681 3/20 0.39
LRRK2 Q5S007 1/20 0.38
DRD4 P21917 5/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 3/20 0.38
PIN1 Q13526 3/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37

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
SCHEMBL13634658 0.94 GLS (0.40) SCDSCD5CCR5DRD4DRD2
SCHEMBL13634895 0.92 SCD (0.42) SCDSCD5CCR5LRRK2DRD4
SCHEMBL13634909 0.92 SCD (0.42) SCDSCD5CCR5DRD4DRD2
SCHEMBL13638951 0.90 PDCD1 (0.40) SCDSCD5PIN1PDCD1CD274
SCHEMBL13638923 0.89 PIN1 (0.35) SCDSCD5PIN1NAPEPLD
SCHEMBL13638824 0.86 KMT2A (0.39) SCDSCD5PIN1PDCD1CD274
SCHEMBL2770055 0.86 PARP1 (0.38) SCDSCD5PIN1
SCHEMBL13639003 0.85 PIN1 (0.37) SCDSCD5PIN1NAPEPLD
SCHEMBL13638952 0.85 CHEK1 (0.37) PIN1
SCHEMBL2770243 0.85 KMT2A (0.38) SCDSCD5DRD4PDCD1CD274

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