SCHEMBL16026628

SCHEMBL16026628

[SiH4].c1cncc(-c2cccnc2-c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.62
CYP2A6 P11509 8/20 0.61
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 1/20 0.46
NUDT1 P36639 1/20 0.45
TDO2 P48775 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL30032 0.98 PTGS2 (0.64) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL31635952 0.98 PTGS2 (0.64) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL28181896 0.98 PTGS2 (0.64) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16026727 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1777671 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL17533979 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL5395875 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL1323698 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
SCHEMBL16026561 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2
Benzene SCHEMBL9109284 0.96 PTGS2 (0.62) PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143237-B The symmetrically silicone modified polymerizable compound of hyperbranched type and its modular manufacturing method 信越化学工业株式会社 2018-12-21 CN disclosed
CN-104045663-B The symmetrical hyperbranched silicone modified polymerizable compound of type and its modular manufacture method 信越化学工业株式会社 2017-07-14 CN disclosed
EP-2975044-B1 SYMMETRICAL HYPERBRANCHED SILICONE-MODIFIED POLYMERIZABLE COMPOUND AND PREPARATION METHOD MODULARIZING SAME SHINETSU CHEMICAL CO (JP) 2017-07-12 EP disclosed
EP-2778169-B1 Symmetric hyperbranched silicone-modified polymerizable compound and modularized manufacturing method thereof SHINETSU CHEMICAL CO (JP) 2016-12-07 EP disclosed
US-9428527-B2 Symmetric hyperbranched type silicone-modified polymerizable compound, and its modularized preparation method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-30 US disclosed
US-20160039848-A1 SYMMETRIC HYPERBRANCHED TYPE SILICONE-MODIFIED POLYMERIZABLE COMPOUND, AND ITS MODULARIZED PREPARATION METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-11 US disclosed
EP-2975044-A1 SYMMETRICAL HYPERBRANCHED SILICONE-MODIFIED POLYMERIZABLE COMPOUND AND PREPARATION METHOD MODULARIZING SAME Shin-Etsu Chemical Co., Ltd. (JP) 2016-01-20 EP disclosed
US-9233991-B2 Symmetric hyperbranched silicone-modified polymerizable compound and modularized manufacturing method thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-12 US disclosed
CN-105143237-A Symmetrical hyperbranched silicone-modified polymerizable compound and preparation method modularizing same SHINETSU CHEMICAL CO 2015-12-09 CN disclosed
US-20140275599-A1 SYMMETRIC HYPERBRANCHED SILICONE-MODIFIED POLYMERIZABLE COMPOUND AND MODULARIZED MANUFACTURING METHOD THEREOF SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
EP-2778169-A1 Symmetric hyperbranched silicone-modified polymerizable compound and modularized manufacturing method thereof Shin-Etsu Chemical Co., Ltd. (JP) 2014-09-17 EP disclosed
CN-104045663-A Symmetric hyperbranched silicone-modified polymerizable compound and modularized manufacturing method thereof SHINETSU CHEMICAL CO 2014-09-17 CN disclosed