SCHEMBL27626103

SCHEMBL27626103

c1ccc(-c2nn[nH]c2-c2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL3270464 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTATM
SCHEMBL5960135 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTATM
SCHEMBL28264086 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL453506 0.77 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTATM
SCHEMBL10723654 0.76 PRKCZ (0.44) ALDH1A1HPGDMAPTATMSMN1; SMN2
SCHEMBL29746075 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL23294386 0.74 MCL1 (0.47) MEN1KMT2A
SCHEMBL29851928 0.74 MCL1 (0.47) MEN1KMT2A
SCHEMBL9229349 0.73 KDM4E (0.45) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL10725446 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTTSHR

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
CN-100505368-C Phosphorescent light-emitting component comprising organic layers NOVALED GMBH (DE) 2009-06-24 — — CN disclosed
CN-1663060-A Phosphorescent light-emitting component comprising organic layers NOVALED GMBH (DE) 2005-08-31 — — CN disclosed
Send feedback