SCHEMBL20111749

SCHEMBL20111749

CC1=C(c2ccc(CNC=O)cc2)SCN1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
ALOX5 P09917 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
SCHEMBL19775882 0.86
SCHEMBL27324564 0.82 ADRB2 (0.44)
SCHEMBL22906802 0.79
SCHEMBL23298817 0.74 ADH1B (0.41) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL19508535 0.73
SCHEMBL24440129 0.73 MEN1 (0.40) ALOX5
SCHEMBL8763196 0.70 ADH1B (0.76) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL20111748 0.69 ADH1B (0.44) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL31566 0.69 ADH1B (0.61) ADH1BADH1CADH1AADH7
SCHEMBL1691160 0.66 ADH1B (0.76) ADH1BADH1CADH1AADH7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 WO disclosed
WO-2018081530-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-05-03 WO disclosed