SCHEMBL17153808

SCHEMBL17153808

Cc1ccc2sc(SSc3nc4cc(C(F)(F)F)ccc4s3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
DYRK1A Q13627 2/20 0.48
ILK Q13418 2/20 0.46
PPARA Q07869 1/20 0.45
AKR1B1 P15121 3/20 0.43
AKR1A1 P14550 1/20 0.43
PDK1 Q15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRA2A P08913 1/20 0.42
FBP1 P09467 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
MC5R P33032 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL17153983 0.91 ALOX5 (0.52) ALOX5DYRK1AILKPPARAAKR1B1
SCHEMBL1772108 0.86 PDK1 (0.55) DYRK1APPARAPDK1ALDH1A1ADRA2A
SCHEMBL30602944 0.82 SMN1; SMN2 (0.59) ALOX5DYRK1AILKPPARAAKR1B1
SCHEMBL3660244 0.82 SMN1; SMN2 (0.59) ALOX5DYRK1AILKPPARAAKR1B1
SCHEMBL23258113 0.79 FBP1 (0.71) PDK1ALDH1A1ADRA2AFBP1ADORA3
SCHEMBL9853857 0.77 POLB (0.56) ALOX5DYRK1AILKAKR1B1ALDH1A1
SCHEMBL10761623 0.76 DYRK1A (0.60) ALOX5DYRK1AILKPPARAAKR1B1
SCHEMBL3921428 0.75 MAPT (0.67) DYRK1AILKALDH1A1SMN1; SMN2TP53
SCHEMBL9393819 0.74 ALOX5 (0.61) ALOX5DYRK1AILKPPARAALDH1A1
SCHEMBL10422672 0.73 SMN1; SMN2 (0.47) DYRK1AILKALDH1A1HSD17B10TDP1

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
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed