SCHEMBL12801407

SCHEMBL12801407

CSc1sc(C=O)cc1N

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2A6 P11509 5/20 0.34
HPGD P15428 2/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9865145 0.78 ALDH1A1 (0.66) ALDH1A1CYP2A6HPGDALOX15HTT
SCHEMBL13976240 0.73 ALDH1A1 (0.42) ALDH1A1CYP2A6
SCHEMBL12060697 0.72
SCHEMBL10742175 0.71 ALDH1A1 (0.40) ALDH1A1HPGDALOX15HTTHSD17B10
SCHEMBL19387443 0.67 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HTTHSD17B10
SCHEMBL7836963 0.67 KEAP1 (0.57) ALDH1A1ALOX15
SCHEMBL8915615 0.64 CYP2A6 (0.42) ALDH1A1CYP2A6HPGDALOX15HTT
SCHEMBL4175470 0.63 KDM4E (0.50) ALDH1A1HPGDALOX15HTTHSD17B10
SCHEMBL5839757 0.63 KEAP1 (0.41) ALDH1A1HPGDHSD17B10
SCHEMBL2306606 0.63 ABCB1 (0.42) ALDH1A1CYP2A6

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
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed