SCHEMBL8310201

SCHEMBL8310201

OCCCNCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
KDM1A O60341 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SCN5A Q14524 2/20 0.39
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESRRG P62508 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8310045 0.98 ACE2 (0.48) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL18024011 0.91 SCN5A (0.46) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL18024053 0.89 HRH3 (0.50) ACE2CARM1PRMT6PRMT8KDM1A
SCHEMBL8306450 0.86 CARM1 (0.50) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL17526226 0.86 ACE2 (0.58) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL17528479 0.84 CARM1 (0.48) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL8307333 0.84 CARM1 (0.48) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL6051858 0.84 ACE2 (0.56) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL18024019 0.83 ACE2 (0.52) ACE2CARM1PRMT6PRMT8SIGMAR1
SCHEMBL10410535 0.83 CARM1 (0.62) ACE2CARM1PRMT6PRMT8SIGMAR1

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
WO-2016130968-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR YALE UNIVERSITY (US) 2016-08-18 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed