SCHEMBL9168709

SCHEMBL9168709

Nc1ccc(Nc2ccc(S)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
ALOX12 P18054 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
RAD52 P43351 1/20 0.56
NR4A1 P22736 1/20 0.52
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 2/20 0.46
APP P05067 1/20 0.46
HPGD P15428 1/20 0.46
SNCA P37840 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5428343 0.86 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL12747008 0.86 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL33864 0.86 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL18289620 0.86 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL5438258 0.86 MAPT (0.78) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL18383482 0.86 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL1459001 0.83 MAPT (0.74) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL8440919 0.83 MAPT (0.74) MAPTALDH1A1L3MBTL1ALOX12CYP3A4
SCHEMBL49836 0.83
Methane SCHEMBL747668 0.80

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-0355586-B1 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL CO (JP) 1995-04-05 EP disclosed
US-5266696-A Colorfast dyes, dyeing, printing and dyed fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-30 US disclosed
US-5112971-A ANTHRAQUINONE DYE COMPOUNDS HAVING FIBERS REACTIVE GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-12 US disclosed
EP-0355586-A2 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-28 EP disclosed