SCHEMBL17950130

SCHEMBL17950130

O=C(c1cccc(N(c2ccccc2)c2cccc(C(=O)c3ccccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2)c1)c1ccccc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 7/20 0.45
▸ CYP2C8 P10632 1/20 0.45
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BCAT2 O15382 1/20 0.40
▸ LPAR1 Q92633 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ CDC25A P30304 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
SCHEMBL17950663 0.95 LTB4R2 (0.46) LTB4R2CYP2C8POLBATMTDP1
SCHEMBL17950260 0.95 LTB4R2 (0.46) LTB4R2CYP2C8POLBATMTDP1
SCHEMBL17955198 0.91 LTB4R2 (0.49) LTB4R2CYP2C8ATMMEN1KMT2A
SCHEMBL17950659 0.89 ALDH1A1 (0.49) LTB4R2CYP2C8ATMMEN1KMT2A
SCHEMBL28983094 0.86 MEN1 (0.45) LTB4R2CYP2C8ATMMEN1KMT2A
SCHEMBL17950250 0.85 CYP2C8 (0.49) CYP2C8POLBATMTDP1L3MBTL1
SCHEMBL17955083 0.84 ALDH1A1 (0.44) LTB4R2CYP2C8ATMTDP1L3MBTL1
SCHEMBL21397856 0.83 PDK2 (0.42) LTB4R2CYP2C8ATMTDP1L3MBTL1
SCHEMBL17950664 0.82 AKR1C3 (0.44) LTB4R2CYP2C8ATMTDP1L3MBTL1
SCHEMBL17950435 0.82 CDC25B (0.45) LTB4R2CYP2C8POLBATMALDH1A1

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-2016116523-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 — — WO disclosed
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