SCHEMBL12655080

SCHEMBL12655080

C=C/C=C(\N=C(/N)Cl)c1cccc(N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL12177014 0.83 ESR1 (0.35) GRIN2BALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL10042500 0.75 DHODH (0.38) GRIN2B
SCHEMBL12801669 0.69 MASP2 (0.35) KDM4EMAPTTDP1L3MBTL1
SCHEMBL609224 0.65 KMT2A (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12435375 0.63 ESR1 (0.34) CYP1A2CYP3A4MAPTCYP2C19TDP1
SCHEMBL27828940 0.63 L3MBTL1 (0.61) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL16848573 0.62 AKT1 (0.53) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL23728431 0.62 L3MBTL1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14563533 0.62 L3MBTL1 (0.43) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13781089 0.62 L3MBTL1 (0.65) KDM4EALDH1A1CYP3A4MAPTTDP1

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
WO-2011055912-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-05-12 — — WO disclosed
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