SCHEMBL14108352

SCHEMBL14108352

CSC(=S)Oc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR2B P41595 1/20 0.47
CYP51A1 Q16850 1/20 0.47
IDO1 P14902 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP1 P03956 2/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL9489807 0.78 L3MBTL1 (0.45) CYP1A2TDP1MAPTKMT2AMEN1
SCHEMBL1403191 0.75 TDP1 (0.52) CYP1A2CYP2A6TDP1MAPTKMT2A
SCHEMBL31141860 0.75 TDP1 (0.52) CYP1A2CYP2A6TDP1MAPTKMT2A
SCHEMBL9666256 0.75 TDP1 (0.52) CYP1A2CYP2A6TDP1MAPTKMT2A
Naphthalen-2-Yl Dimethylcarbamate SCHEMBL31152493 0.74 NCEH1 (0.70) TDP1MAPTKMT2AMEN1LMNA
Naphthalen-2-Yl Dimethylcarbamate SCHEMBL16005596 0.74 NCEH1 (0.70) TDP1MAPTKMT2AMEN1LMNA
SCHEMBL8541533 0.74 CYP1A2 (0.58) CYP1A2CYP2A6TDP1MAPTKMT2A
SCHEMBL2463525 0.73 TDP1 (0.55) CYP1A2CYP2A6TDP1MAPTKMT2A
SCHEMBL10452051 0.72 GAA (0.49) CYP1A2MAPTKMT2AMEN1LMNA
SCHEMBL17221045 0.72 ALDH1A1 (0.43) MAPTKMT2AMEN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402690-B2 Chain transfer agents for raft polymerization in aqueous media UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2008-07-22 US disclosed
US-20070123670-A1 Chain transfer agents for raft polymerization in aqueous media MCCORMICK CHARLES L 2007-05-31 US disclosed