SCHEMBL13634909

SCHEMBL13634909

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
SCD5 Q86SK9 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR5 P51681 6/20 0.40
PIN1 Q13526 3/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
DRD4 P21917 3/20 0.38
DRD2 P14416 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL13634895 0.95 SCD (0.42) SCDSCD5CCR5PIN1PDCD1
SCHEMBL13634658 0.92 GLS (0.40) SCDSCD5CCR5PIN1PDCD1
SCHEMBL13638837 0.92 SCD (0.40) SCDSCD5CCR5PIN1PDCD1
SCHEMBL13164112 0.83 GRM2 (0.37) SCDSCD5PIN1PDCD1CD274
SCHEMBL13270720 0.83 MAPK1 (0.41) KMT2A
SCHEMBL13638951 0.81 PDCD1 (0.40) SCDSCD5PIN1PDCD1CD274
SCHEMBL13270718 0.81 HRH3 (0.37) SCDSCD5PIN1KMT2A
SCHEMBL13638923 0.80 PIN1 (0.35) SCDSCD5PIN1NAPEPLDMEN1
SCHEMBL13634910 0.80 PIN1 (0.35) SCDSCD5PIN1NAPEPLD
SCHEMBL13638833 0.79 GRM2 (0.39) SCDSCD5PIN1PDCD1CD274

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed