SCHEMBL15322835

SCHEMBL15322835

NC(=O)c1nc(CCNC(=S)S)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL16376068 0.76 GDA (0.32)
SCHEMBL1765849 0.76 GDA (0.34)
SCHEMBL3318832 0.70 PARP1 (0.34)
SCHEMBL3210790 0.70 ALDH1A1 (0.35) ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL7579081 0.68 KCNH2 (0.43)
SCHEMBL5016411 0.68 MTNR1A (0.30)
SCHEMBL3321019 0.67 ENPP2 (0.34) ALDH1A1
SCHEMBL5096053 0.67
SCHEMBL3036341 0.66 MTNR1A (0.40) ALDH1A1
SCHEMBL2867545 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834374-A1 ELECTRODES FOR SENSING CHEMICAL COMPOSITION Arizona Board of Regents acting for and on behalf of Arizona State University (US) 2015-02-11 EP claimed
WO-2013151756-A9 ELECTRODES FOR SENSING CHEMICAL COMPOSITION ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-03-06 WO claimed
US-20130302901-A1 Electrodes for Sensing Chemical Composition NATIONAL INSTITUTES OF HEALTH 2013-11-14 US claimed
WO-2013151756-A1 ELECTRODES FOR SENSING CHEMICAL COMPOSITION ARIZONA BOARD OF RECENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2013-10-10 WO claimed
EP-2834374-A1 ELECTRODES FOR SENSING CHEMICAL COMPOSITION Arizona Board of Regents acting for and on behalf of Arizona State University (US) 2015-02-11 EP disclosed
WO-2013151756-A9 ELECTRODES FOR SENSING CHEMICAL COMPOSITION ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-03-06 WO disclosed
US-20130302901-A1 Electrodes for Sensing Chemical Composition NATIONAL INSTITUTES OF HEALTH 2013-11-14 US disclosed
WO-2013151756-A1 ELECTRODES FOR SENSING CHEMICAL COMPOSITION ARIZONA BOARD OF RECENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2013-10-10 WO disclosed