SCHEMBL11223893

SCHEMBL11223893

Brc1ccc2sc(SSc3nc4cc(Br)ccc4s3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.57
PDK1 Q15118 4/20 0.55
FBP1 P09467 3/20 0.55
ALDH1A1 P00352 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
DRD2 P14416 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 1/20 0.55
MC5R P33032 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
OPRK1 P41145 1/20 0.55
CCR2 P41597 1/20 0.55
HTR6 P50406 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL3468909 0.85 NPSR1 (0.65) PPARAPDK1FBP1ALDH1A1ADRA2A
SCHEMBL27834024 0.81 PPARA (0.55) PPARAFBP1ALDH1A1HSD17B10DYRK1A
SCHEMBL11213452 0.81 PPARA (0.48) PPARAPDK1FBP1ALDH1A1ADRA2A
SCHEMBL16395719 0.81 PPARA (0.54) PPARAPDK1FBP1ALDH1A1ADRA2A
SCHEMBL17836733 0.79 DYRK1A (0.53) PPARAALDH1A1DYRK1ATUBB4ATUBB
SCHEMBL1772108 0.77 PDK1 (0.55) PPARAPDK1FBP1ALDH1A1ADRA2A
SCHEMBL8523609 0.77 SMN1; SMN2 (0.74) PPARAPDK1FBP1ALDH1A1ADRA2A
SCHEMBL11251436 0.77 MAPT (0.56) PDK1FBP1ALDH1A1ADRA2AADORA3
SCHEMBL3662308 0.74 DYRK1A (0.49) PPARAALDH1A1DYRK1ASMN1; SMN2TUBB4A
SCHEMBL2749682 0.74 DYRK1A (0.49) PPARAALDH1A1DYRK1ASMN1; SMN2TUBB4A

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-4343660-A PETROLEUM SULFONATE AND COMPLEXING AGENT, FOR COPPER CABLES PETROLITE CORPORATION (US) 1982-08-10 US disclosed
US-4138346-A ETHOXYLATED PHOSPHATE ESTER WITH A MERCAPTOTHIAZOLE, A DITHIOBIS-THIAZOLE, A SULFIDE, A DISULFIDE OR A SULFONE BASF WYANDOTTE CORPORATION (US) 1979-02-06 US disclosed