SCHEMBL5960135

SCHEMBL5960135

c1ccc(-c2[nH]nnc2-c2ccccc2-c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ GCGR P47871 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
SCHEMBL27626103 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL10723654 0.82 PRKCZ (0.44) ALDH1A1MAPTHPGDSMN1; SMN2ATM
SCHEMBL3270464 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL704186 0.79 CDK4 (0.47) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL23221250 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL453506 0.74 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL727511 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL623148 0.72 TNF (0.52) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL29732781 0.72 TNF (0.52) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL24976109 0.72 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1508176-B1 PHOSPHORESCENT LIGHT-EMITTING COMPONENT COMPRISING ORGANIC LAYERS NOVALED GMBH (DE) 2006-08-09 — — EP disclosed
EP-1508176-A2 PHOSPHORESCENT LIGHT-EMITTING COMPONENT COMPRISING ORGANIC LAYERS Novaled GmbH (DE) 2005-02-23 — — EP disclosed
WO-2003100880-A2 PHOSPHORESCENT LIGHT-EMITTING COMPONENT COMPRISING ORGANIC LAYERS NOVALED GMBH (DE) 2003-12-04 — — WO disclosed
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