SCHEMBL443416

SCHEMBL443416

CC(C)(C)NSc1nc2c(-c3cccc4sc(SSc5nc6ccccc6s5)nc34)cccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
FBP1 P09467 3/20 0.54
HPGD P15428 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD1 P21728 1/20 0.54
MC5R P33032 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
OPRK1 P41145 1/20 0.54
CCR2 P41597 1/20 0.54
HTR6 P50406 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDK1 Q15118 1/20 0.54

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
SCHEMBL80374 0.85 ALDH1A1 (0.58) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL29370541 0.85 ALDH1A1 (0.58) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL7692784 0.84 FBP1 (0.49) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL30017383 0.84 ALDH1A1 (0.56) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL6372950 0.84 ALDH1A1 (0.56) ALDH1A1FBP1HPGDTDP1ALOX15
Tert-Butylamine SCHEMBL11814397 0.83 ALDH1A1 (0.54) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL2170985 0.80 ALDH1A1 (0.42) ALDH1A1FBP1HPGDTDP1ALOX15
2-Mercaptobenzothiazole SCHEMBL28150676 0.78 ALDH1A1 (0.49) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL8896302 0.77 ALDH1A1 (0.48) ALDH1A1FBP1HPGDTDP1ALOX15
SCHEMBL546221 0.76 ALDH1A1 (0.49) ALDH1A1HPGDTDP1ALOX15HSD17B10

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
US-10370475-B2 Elastomeric compounds having increased cold flow resistance and methods producing the same BRIDGESTONE CORPORATION (JP) 2019-08-06 US disclosed
US-20160297913-A1 Elastomeric Compounds Having Increased Cold Flow Resistance And Methods Producing The Same BRIDGESTONE CORPORATION (JP) 2016-10-13 US disclosed
US-9371434-B2 Elastomeric compounds having increased cold flow resistance and methods producing the same BRIDGESTONE CORPORATION (JP) 2016-06-21 US disclosed
US-20120065315-A1 ELASTOMERIC COMPOUNDS HAVING INCREASED COLD FLOW RESISTANCE AND METHODS PRODUCING THE SAME BRIDGESTONE CORPORATION (JP) 2012-03-15 US disclosed