SCHEMBL15780508

SCHEMBL15780508

C[SiH2]C#Cc1c2ccccc2cc2sc3c(sc4cc5ccccc5c(C#C[SiH2]C)c43)c12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ NQO1 P15559 1/20 0.30
▸ NQO2 P16083 1/20 0.30

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
SCHEMBL15853281 0.79 MAPT (0.34) MAPTCYP1A1CYP1A2CYP1B1NQO1
SCHEMBL16854372 0.79 — —
SCHEMBL15853289 0.73 KCNH2 (0.39) MAPT
SCHEMBL15853287 0.73 KCNH2 (0.39) MAPT
SCHEMBL15853272 0.71 L3MBTL1 (0.41) MAPTCYP1A2CYP1B1NQO1NQO2
SCHEMBL15780506 0.67 CYP2A6 (0.41) MAPTCYP1A1CYP1A2CYP1B1NQO1
SCHEMBL15780507 0.67 PTPN1 (0.41) MAPTCYP1A2CYP1B1NQO1NQO2
SCHEMBL24211820 0.67 GPR3 (0.39) MAPTCYP1A1CYP1A2CYP1B1NQO1
SCHEMBL15853290 0.64 NQO2 (0.43) MAPTNQO1NQO2
SCHEMBL17037122 0.62 HPRT1 (0.50) CYP1A1CYP1A2CYP1B1NQO1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740735-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND Teijin Limited (JP) 2014-06-11 — — EP disclosed
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