SCHEMBL15965733

SCHEMBL15965733

c1cncc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccnc4)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.48
▸ METAP2 P50579 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MDM2 Q00987 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15965725 0.96 KDM4E (0.47) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL17228027 0.93 CYP1A2 (0.51) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL17228026 0.90 KDM4E (0.53) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL16418468 0.89 MAPT (0.44) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL16485274 0.89 CYP1A2 (0.42) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL19041604 0.87 CYP1A2 (0.44) CYP1A2METAP2L3MBTL1HTTMDM2
SCHEMBL30118236 0.87 CYP1A2 (0.47) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL19061802 0.86 CYP1A2 (0.39) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL25053466 0.86 CYP11B2 (0.47) CYP1A2METAP2KDM4EATML3MBTL1
SCHEMBL15450044 0.86 CYP1A2 (0.46) CYP1A2METAP2KDM4EATML3MBTL1

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-20140231772-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 — — US disclosed
US-20140231772-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. 2014-08-21 — — US disclosed
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