SCHEMBL12433950

SCHEMBL12433950

CN(C)c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4ccc(N(c5ccccc5)c5ccc(N(C)C)cc5)cc4)c4ccc5cccc6ccc3c4c65)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
ADK P55263 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 5/20 0.38
MAPT P10636 4/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
PSMB5 P28074 2/20 0.36
HSD17B10 Q99714 2/20 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
SCHEMBL12433947 0.93 CYP1A2 (0.40) GPR84L3MBTL1CYP1A2MAPTTSHR
SCHEMBL18416125 0.91 GPR84 (0.41) GPR84ADKL3MBTL1CYP1A2MAPT
SCHEMBL17264006 0.84 CYP1A2 (0.36) L3MBTL1CYP1A2MAPTTSHRKDM4E
SCHEMBL12433936 0.83 ALDH1A1 (0.43) GPR84ADKL3MBTL1CYP1A2MAPT
SCHEMBL18174848 0.82 CYP1A2 (0.41) L3MBTL1CYP1A2MAPTTSHRKDM4E
SCHEMBL2208703 0.82 ALDH1A1 (0.42) ADKL3MBTL1CYP1A2MAPTKDM4E
SCHEMBL12433951 0.82 CYP11B1 (0.40) GPR84CYP1A2MAPTKDM4EALDH1A1
SCHEMBL12700373 0.81 CDK4 (0.32) L3MBTL1CYP1A2MAPTKDM4EALDH1A1
SCHEMBL23332525 0.81 GPR84 (0.48) GPR84ADKL3MBTL1CYP1A2MAPT
SCHEMBL17264016 0.80 ERBB2 (0.33) CYP1A2ERBB2FYNMAOAACHE

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-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed
US-7981523-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-19 US disclosed