SCHEMBL4200755

SCHEMBL4200755

C=CC(SCc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 2/20 0.38
EPHX1 P07099 6/20 0.37
MAOB P27338 1/20 0.37
IDO1 P14902 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL2146152 0.77 CYP2C19 (0.37) SMN1; SMN2CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL9067800 0.76 CYP2C19 (0.37) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL11424799 0.76 CYP2C19 (0.37) SMN1; SMN2CYP2C19L3MBTL1CYP1A2CYP3A4
SCHEMBL776368 0.74 CYP2C19 (0.36) SMN1; SMN2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL776296 0.74 CYP2C19 (0.36) SMN1; SMN2CYP2C19CYP3A4TSHR
SCHEMBL11520655 0.74 LMNA (0.42) SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL9068473 0.72 RIPK1 (0.35) CYP2C19L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL5285515 0.71 EPHX1 (0.41) CYP2C19EPHX1IDO1NOS3NOS1
SCHEMBL776369 0.71 CYP2C19 (0.34) SMN1; SMN2CYP2C19CYP3A4TSHR
SCHEMBL7206079 0.71 LMNA (0.35) SMN1; SMN2CYP2C19CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298726-B2 Volume phase hologram recording material and optical information recording medium NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-10-30 US claimed
EP-2110718-B1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL CHEMICAL CO (JP) 2012-10-10 EP claimed
US-20090310196-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2009-12-17 US claimed
EP-2110718-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM Nippon Steel Chemical Co., Ltd. (JP) 2009-10-21 EP claimed
US-20140349218-A1 PHOTOSENSITIVE MATERIAL, HOLOGRAPHIC RECORDING MEDIUM AND HOLOGRAPHIC RECORDING METHOD NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD (JP) 2014-11-27 US disclosed
US-8298726-B2 Volume phase hologram recording material and optical information recording medium NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2110718-B1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL CHEMICAL CO (JP) 2012-10-10 EP disclosed
US-20090310196-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2009-12-17 US disclosed
EP-2110718-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL AND OPTICAL INFORMATION RECORDING MEDIUM Nippon Steel Chemical Co., Ltd. (JP) 2009-10-21 EP disclosed