SCHEMBL14722986

SCHEMBL14722986

c1cn(CSCn2ccnc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.52
ALDH1A1 P00352 1/20 0.52
FDPS P14324 3/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
GGPS1 O95749 2/20 0.47
BTN3A1 O00481 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 4/20 0.45
CYP19A1 P11511 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL32660138 0.84 TBXAS1 (0.52) TBXAS1ALDH1A1FDPSEGLN3GGPS1
SCHEMBL11479497 0.83 ALDH1A1 (0.42) TBXAS1ALDH1A1FDPSEGLN3GGPS1
SCHEMBL10247560 0.80 AGER (0.62) FDPSCYP19A1AGER
SCHEMBL20034172 0.80
SCHEMBL22849646 0.80
SCHEMBL28045017 0.80 TBXAS1 (0.55) TBXAS1ALDH1A1FDPSEGLN3GGPS1
Hydrochloric Acid SCHEMBL1775858 0.78 AGER (0.60) FDPSCYP19A1AGER
SCHEMBL11788 0.77
SCHEMBL29020793 0.77 TBXAS1 (0.61) TBXAS1ALDH1A1CYP19A1POLBMAPT
SCHEMBL11011926 0.77 CYP11B1 (0.61) TBXAS1CYP11B1CYP11B2CYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9390864-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
US-20150340165-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-9159499-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
EP-2820105-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS Merck Patent GmbH (DE) 2015-01-07 EP disclosed
US-20140190567-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2014-07-10 US disclosed
WO-2013026563-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2013-02-28 WO disclosed