SCHEMBL9067753

SCHEMBL9067753

CC(SC#N)Sc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 6/20 0.53
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
FBP1 P09467 2/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53
MC5R P33032 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
OPRK1 P41145 1/20 0.53
CCR2 P41597 1/20 0.53
HTR6 P50406 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PDK1 Q15118 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL6906251 0.86 HPGD (0.54) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL10358647 0.83 ALDH1A1 (0.54) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL10927242 0.80 ALDH1A1 (0.63) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL10358349 0.80 HPGD (0.58) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL7622005 0.79 PSMB8 (0.50) ALDH1A1HPGDHSD17B10TDP1MAPK1
SCHEMBL22292430 0.78 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL7633187 0.78 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL7628317 0.78 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL7910140 0.77 ALDH1A1 (0.63) ALDH1A1HPGDALOX15HSD17B10FBP1
SCHEMBL2634521 0.77 HPGD (0.54) ALDH1A1HPGDALOX15HSD17B10FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604511-B1 SYNERGISTIC COMBINATIONS OF 2-(THIOCYANOMETHYLTHIO)-BENZOTHIAZOLE WITH HEXAHYDRO-1,3,5-TRIS(2-HYDROXYETHYL)-S-TRIAZINE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS BUCKMAN LABOR INC (US) 1996-11-27 EP disclosed
EP-0604511-A1 SYNERGISTIC COMBINATIONS OF 2-(THIOCYANOMETHYLTHIO)-BENZOTHIAZOLE WITH HEXAHYDRO-1,3,5-TRIS(2-HYDROXYETHYL)-S-TRIAZINE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS. BUCKMAN LABOR INC (US) 1994-07-06 EP disclosed
WO-1993004584-A1 SYNERGISTIC COMBINATIONS OF 2-(THIOCYANOMETHYLTHIO)-BENZOTHIAZOLE WITH HEXAHYDRO-1,3,5-TRIS(2-HYDROXYETHYL)-S-TRIAZINE IN CONTROLLING FUNGAL AND BACTERIAL GROWTH IN AQUEOUS FLUIDS BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1993-03-18 WO disclosed
US-4983618-A Tribromophenol, microbiological growth control, synergistic BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1991-01-08 US disclosed