SCHEMBL16974889

SCHEMBL16974889

CCC(C)NC1=NSc2cc(Br)ccc2N1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR3 P49019 2/20 0.33
SNCA P37840 1/20 0.32
RAB9A P51151 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL8582802 0.86 LMNA (0.36) SMN1; SMN2SNCA
SCHEMBL8586570 0.84 NOX1 (0.36) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL16974831 0.84 ALDH1A1 (0.33) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL8583996 0.82 SNCA (0.32) SMN1; SMN2SNCA
SCHEMBL8582658 0.81 HCAR3 (0.47) ALDH1A1TP53SMN1; SMN2HCAR3RAB9A
SCHEMBL8580002 0.81 SNCA (0.35) SMN1; SMN2SNCA
SCHEMBL8585602 0.78 CCNC (0.39) SMN1; SMN2L3MBTL1SNCARAB9A
SCHEMBL8585953 0.76 NOX1 (0.36) ALDH1A1TP53HSP90AA1CYP3A4THRB
SCHEMBL8585813 0.75
SCHEMBL8582981 0.72 SNCA (0.33) SNCA

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
EP-3099304-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA Mayo Foundation for Medical Education and Research (US) 2016-12-07 EP disclosed
WO-2015117024-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-08-06 WO disclosed