SCHEMBL8081009

SCHEMBL8081009

CC(O)CSSc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.66
ALDH1A1 P00352 5/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 3/20 0.60
ALOX15 P16050 2/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
DRD2 P14416 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA2C P18825 1/20 0.60
DRD1 P21728 1/20 0.60
MC5R P33032 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
OPRK1 P41145 1/20 0.60
CCR2 P41597 1/20 0.60
HTR6 P50406 1/20 0.60
SLC6A3 Q01959 1/20 0.60
PDK1 Q15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL11824494 0.88 FBP1 (0.65) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL10037466 0.85 APEX1 (0.64) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL8164655 0.84 FBP1 (0.60) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11821867 0.84 FBP1 (0.68) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11825228 0.84 FBP1 (0.64) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL8827047 0.81 FBP1 (0.59) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL11830382 0.81 FBP1 (0.63) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL5847040 0.80 FBP1 (1.00) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL7935498 0.79 ALDH1A1 (0.75) FBP1ALDH1A1HPGDHSD17B10ALOX15
SCHEMBL7926448 0.79 ALDH1A1 (0.75) FBP1ALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590457-B1 Benzothiazole derivatives as vulcanisation accelerators suitable for the introduction of polar substituents BAYER AG (DE) 2000-12-06 EP disclosed
US-6140427-A 2-(SUBSTITUTED ALKYLTHIO)BENZOTHIAZOLE DERIVATIVES WHICH EFFECT CHAIN TRANSFER OF RUBBER SIDE CHAINS DURING VULCANIZATION BAYER AG (DE) 2000-10-31 US disclosed
EP-0590457-A1 Benzothiazole derivatives as vulcanisation accelerators suitable for the introduction of polar substituents BAYER AG (DE) 1994-04-06 EP disclosed