SCHEMBL9007952

SCHEMBL9007952

c1ccc2sc(-n3ncnn3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ADRA2A P08913 1/20 0.50
FBP1 P09467 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
DRD2 P14416 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
MC5R P33032 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
CCR2 P41597 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDK1 Q15118 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL11375551 0.73 RAB9A (0.51) HSD17B10ALDH1A1ADRA2AFBP1ADORA3
SCHEMBL23360634 0.71 NPC1 (0.46) HSD17B10ALDH1A1ADRA2AFBP1ADORA3
SCHEMBL2074140 0.71 HSD17B10 (0.51) HSD17B10ALDH1A1ADRA2AFBP1ADORA3
SCHEMBL9465324 0.71 RAB9A (0.53) HSD17B10ALDH1A1ADRA2AFBP1ADORA3
SCHEMBL10489897 0.69 RAB9A (0.65) HSD17B10ALDH1A1ALOX15TDP1RAB9A
SCHEMBL5324725 0.69 ALDH1A1 (0.50) HSD17B10ALDH1A1ADRA2AFBP1ADORA3
SCHEMBL23354776 0.68 NPC1 (0.45) HSD17B10ALDH1A1HPGDALOX15RAB9A
SCHEMBL8526236 0.68 RAB9A (0.73) ALDH1A1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL18741279 0.68 RAB9A (0.46) HSD17B10ALDH1A1ADRA2AFBP1ADORA3
Benzothiazyl Disulfide SCHEMBL11095350 0.67 ALDH1A1 (1.00) HSD17B10ALDH1A1ADRA2AFBP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476457-B1 2-Benzothiazolyl tetrazolium salt indicators BAYER AG (US) 1996-12-04 EP claimed
US-5300637-A Useful in determination of reducing substances MILES INC. (US) 1994-04-05 US claimed
EP-0476457-B1 2-Benzothiazolyl tetrazolium salt indicators BAYER AG (US) 1996-12-04 EP disclosed
EP-0476457-B1 2-Benzothiazolyl tetrazolium salt indicators BAYER AG (US) 1996-12-04 EP disclosed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP disclosed
US-5300637-A Useful in determination of reducing substances MILES INC. (US) 1994-04-05 US disclosed
US-5300637-A Useful in determination of reducing substances MILES INC. (US) 1994-04-05 US disclosed
US-5300637-A Useful in determination of reducing substances MILES INC. (US) 1994-04-05 US disclosed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US disclosed
EP-0476454-A1 Analytical method using tetrazolium salt indicators having a reflectance plateau Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP disclosed