SCHEMBL10657544

SCHEMBL10657544

COc1cccc(-n2c(=O)c3c(c4ncccc42)OCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.44
KAT2B Q92831 1/20 0.42
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
ADORA2A P29274 1/20 0.38
LMNA P02545 1/20 0.37
FGFR1 P11362 1/20 0.37
MET P08581 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
GNRHR P30968 2/20 0.36
MGLL Q99685 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
SCHEMBL10654535 0.89 PKM (0.42) KAT2BMAPTCYP1A2POLBPDE4B
SCHEMBL10377181 0.87 EPHB4 (0.48) EPHB4KAT2BNPC1MAPTCYP1A2
SCHEMBL10660843 0.85 MAPT (0.39) MAPTCYP1A2SMN1; SMN2PDE4BPDE4D
SCHEMBL10659641 0.84 PDE4B (0.39) NPC1MAPTSMN1; SMN2PDE4BPDE4D
SCHEMBL10377092 0.84 EPHB4 (0.48) EPHB4KAT2BNPC1MAPTCYP1A2
SCHEMBL10657180 0.84 REN (0.36) KAT2BPDE4BPDE4DPDE4APDE4C
SCHEMBL10654531 0.83 SMN1; SMN2 (0.46) EPHB4CYP1A2POLBSMN1; SMN2L3MBTL1
SCHEMBL10654513 0.81 KAT2B (0.41) EPHB4KAT2BNPC1MAPTCYP1A2
SCHEMBL10653938 0.81 EPHB4 (0.52) EPHB4KAT2BNPC1MAPTCYP1A2
SCHEMBL10659547 0.81 ALDH1A1 (0.41) KAT2BNPC1MAPTCYP1A2POLB

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