SCHEMBL17735369

SCHEMBL17735369

Nc1cccc(-c2ccc(C3=NNC(c4ccccc4)N3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.50
▸ MAP4K4 O95819 2/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL19622813 0.87 P2RX7 (0.39) MAOAMEN1KDM4EALDH1A1MAPT
SCHEMBL18977333 0.87 P2RX7 (0.43) MEN1KDM4EALDH1A1MAPTHPGD
SCHEMBL17196547 0.83 P2RX7 (0.46) MEN1KDM4EALDH1A1MAPTHPGD
SCHEMBL19534243 0.81 NISCH (0.41) MAOAMEN1KDM4EALDH1A1MAPT
SCHEMBL17306371 0.73 MAOA (0.95) MAOAMAP4K4MEN1KDM4EALDH1A1
SCHEMBL22104536 0.73 MAOA (0.95) MAOAMAP4K4MEN1KDM4EALDH1A1
SCHEMBL18977534 0.72 P2RX7 (0.41) MAOAMAP4K4MEN1KDM4EALDH1A1
SCHEMBL16846943 0.71 MAOA (0.45) MAOAMAP4K4MEN1KDM4EALDH1A1
SCHEMBL173011 0.71 MAOA (1.00) MAOAMAP4K4MEN1KDM4EALDH1A1
SCHEMBL29625959 0.71 MAOA (1.00) MAOAMAP4K4MEN1KDM4EALDH1A1

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-2016072780-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-05-12 — — WO disclosed
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