SCHEMBL13827005

SCHEMBL13827005

CCN(C)Sc1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.58
HTR1A P08908 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 2/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
DRD2 P14416 1/20 0.56
ALOX15 P16050 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
MC5R P33032 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
OPRK1 P41145 1/20 0.56
CCR2 P41597 1/20 0.56
HTR6 P50406 1/20 0.56

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
SCHEMBL29494838 0.85 FBP1 (0.59) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL80423 0.85 FBP1 (0.59) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL11589539 0.83 POLB (0.57) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL8662853 0.83 ALDH1A1 (0.63) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL29494847 0.83 ALDH1A1 (0.63) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL1193945 0.81 HTR1A (0.55) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL1193757 0.80 FBP1 (0.54) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL11680202 0.80 FBP1 (0.54) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL1193419 0.79 FBP1 (0.56) FBP1HTR1AHTR2AHTR7ALDH1A1
SCHEMBL29494839 0.79 FBP1 (0.56) FBP1HTR1AHTR2AHTR7ALDH1A1

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-9051451-B2 Rubber composition for breaker topping and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-06-09 US disclosed
US-20120285599-A1 RUBBER COMPOSITION FOR BREAKER TOPPING AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-11-15 US disclosed