SCHEMBL13638771

SCHEMBL13638771

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
SCD5 Q86SK9 2/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
MCHR1 Q99705 1/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34
PIN1 Q13526 3/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
METTL3 Q86U44 1/20 0.33

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
SCHEMBL13634887 0.94 GLS (0.36) SCDSCD5HDAC6MCHR1PARP1
SCHEMBL13639001 0.92 KMT2A (0.38) SCDSCD5KMT2AALDH1A1PDCD1
SCHEMBL2770243 0.92 KMT2A (0.38) SCDSCD5KMT2AALDH1A1PDCD1
SCHEMBL13638951 0.92 PDCD1 (0.40) SCDSCD5KMT2AMCHR1PARP1
SCHEMBL2770055 0.91 PARP1 (0.38) SCDSCD5KMT2AMCHR1PARP1
SCHEMBL13638912 0.91 KMT2A (0.47) KMT2AKDM4EALDH1A1
SCHEMBL13638824 0.90 KMT2A (0.39) SCDSCD5KMT2AMCHR1PARP1
SCHEMBL13634612 0.89 MCHR1 (0.38) SCDKMT2AMCHR1PARP1TNK1
SCHEMBL13639003 0.89 PIN1 (0.37) SCDSCD5KMT2APIN1NAPEPLD
Fumaric Acid SCHEMBL2771644 0.89 CCKAR (0.36) SCDSCD5KMT2AMCHR1PIN1

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