SCHEMBL20111748

SCHEMBL20111748

Cc1[nH]sc1-c1ccc(CNC=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
ALOX5 P09917 1/20 0.36
VHL P40337 1/20 0.34
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ASH1L Q9NR48 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
SCHEMBL24327170 0.74 ADH1B (0.43) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL8763196 0.73 ADH1B (0.76) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL20111720 0.73 VHL (0.64) ADH1BADH1CADH1AADH7VHL
SCHEMBL31566 0.72 ADH1B (0.61) ADH1BADH1CADH1AADH7
SCHEMBL23298817 0.69 ADH1B (0.41) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL20111749 0.69 ADH1B (0.41) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL1691160 0.69 ADH1B (0.76) ADH1BADH1CADH1AADH7
SCHEMBL5451697 0.69 ADH1B (0.76) ADH1BADH1CADH1AADH7
SCHEMBL4633463 0.68 ADH1B (0.61) ADH1BADH1CADH1AADH7
SCHEMBL8763263 0.67 ADH1B (0.67) ADH1BADH1CADH1AADH7ALOX5

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
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 WO disclosed