SCHEMBL22417753

SCHEMBL22417753

C=C(C(=C)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(C(=C)/C=C\C)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TRPM8 Q7Z2W7 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ RAB9A P51151 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13900309 0.82 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL25733615 0.81 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL23544437 0.80 PTGIR (0.34) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL13819844 0.78 MEN1 (0.34) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL20209041 0.75 KDM4E (0.33) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL20466593 0.75 MAPT (0.33) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL26318220 0.74 MEN1 (0.33) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL21105245 0.74 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL22643654 0.74 NPSR1 (0.38) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL19311819 0.74 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1MAPTL3MBTL1

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-3706182-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kyushu University National University Corporation (JP) 2020-09-09 — — EP disclosed
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