SCHEMBL2623337

SCHEMBL2623337

[3H]c1ccc(N(c2ccccc2)c2cccc(Oc3cccc(N(c4ccccc4)c4ccc([3H])cc4)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.39
LTA4H P09960 1/20 0.39
AKR1C3 P42330 1/20 0.38
CETP P11597 3/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL2623340 0.93 PTGES (0.37) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL8943978 0.90 MAOB (0.48) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL16890151 0.88 MAOB (0.47) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL24119757 0.85 MAOB (0.44) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL21918077 0.85 MAOB (0.44) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL24119800 0.85 MAOB (0.44) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL2623351 0.84 ALDH1A1 (0.44) TSHRALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2623350 0.84 ALDH1A1 (0.44) TSHRALDH1A1MAPTKDM4ECYP1A2
SCHEMBL23916253 0.84 MAOB (0.46) MAOBTSHRLTA4HAKR1C3CETP
SCHEMBL24491415 0.83 MAOB (0.47) MAOBTSHRLTA4HAKR1C3CETP

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-20120091443-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 US disclosed