SCHEMBL22099583

SCHEMBL22099583

C=C(C)Sc1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
FBP1 P09467 2/20 0.59
ALOX15 P16050 2/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
DRD1 P21728 1/20 0.59
MC5R P33032 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
OPRK1 P41145 1/20 0.59
CCR2 P41597 1/20 0.59
HTR6 P50406 1/20 0.59
SLC6A3 Q01959 1/20 0.59
PDK1 Q15118 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL3137554 0.83 MAPT (0.65) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL29881713 0.79 MAPT (0.73) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL28820663 0.79 MAPT (0.73) ALDH1A1HPGDHSD17B10FBP1ALOX15
Benzothiazyl Disulfide SCHEMBL28862975 0.78 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL20800994 0.78 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL3194198 0.77 HPGD (0.61) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL11625036 0.77 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL12545749 0.77 RECQL (0.65) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL10723990 0.76 POLB (0.59) ALDH1A1HPGDHSD17B10FBP1ALOX15
SCHEMBL11687270 0.76 HPGD (0.59) ALDH1A1HPGDHSD17B10FBP1ALOX15

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-20200190297-A1 PROCESS FOR REGENERATING A MONOLITHIC, MACRO-STRUCTURAL, INTER-PENETRATING ELASTOMER NETWORK MORPHOLOGY FROM GROUND TIRE RUBBER PARTICLES COE WILLIAM B (US) 2020-06-18 US disclosed