SCHEMBL8046529

SCHEMBL8046529

CCCCCc1nnc(S)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 3/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DNMT1 P26358 1/20 0.37
GAPDH P04406 1/20 0.37
ALOX15 P16050 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8034034 0.98 ALDH1A1 (0.61) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL8045337 0.98 ALDH1A1 (0.61) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL1719258 0.96 ALDH1A1 (0.52) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL14557094 0.89 ALDH1A1 (0.50) ALDH1A1NPSR1POLBL3MBTL1GLS
SCHEMBL6406054 0.84 ALDH1A1 (0.69) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL31244838 0.82 ALDH1A1 (0.73) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL22368217 0.82 ALDH1A1 (0.73) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL6553986 0.82 ALDH1A1 (0.73) ALDH1A1NPSR1POLBCYP2C9TSHR
SCHEMBL5654025 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1POLBTSHRGLS
SCHEMBL9346540 0.77 ALDH1A1 (0.60) ALDH1A1NPSR1POLBCYP2C9TSHR

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-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
EP-1543983-B1 Ink-jet recording medium and process for producing the same FUJIFILM CORP (JP) 2008-02-20 EP disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
EP-0796890-A1 Vulcanizable acrylic rubber composition ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed