SCHEMBL10654535

SCHEMBL10654535

COc1ccc(-n2c(=O)c3c(c4ncccc42)OCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
KAT2B Q92831 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 1/20 0.38
PDE4A P27815 1/20 0.37
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
PDE10A Q9Y233 1/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 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
SCHEMBL10657544 0.89 EPHB4 (0.44) KAT2BPOLBMAPTLMNAPDE4A
SCHEMBL10659547 0.87 ALDH1A1 (0.41) KAT2BALDH1A1POLBMAPTLMNA
SCHEMBL10657180 0.86 REN (0.36) KAT2BALDH1A1TSHRPDE4AGAA
SCHEMBL10378398 0.85 CYP1A2 (0.41) PKMALDH1A1ALOX15POLBTSHR
SCHEMBL10658485 0.85 HPGD (0.37) KAT2BALDH1A1MAPTLMNARAB9A
SCHEMBL10658258 0.85 USP14 (0.41) KAT2BALDH1A1POLBMAPTKMT2A
SCHEMBL9628888 0.83 PKM (0.47) PKMKAT2BALDH1A1ALOX15TSHR
SCHEMBL10659134 0.80 KAT2B (0.40) KAT2BALDH1A1POLBMAPTRAB9A
SCHEMBL10658129 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15POLBTSHRMAPT
SCHEMBL10660843 0.78 MAPT (0.39) ALDH1A1MAPTLMNARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed