SCHEMBL10658752

SCHEMBL10658752

COc1cccc(-n2c(=O)c3c(c4nc(C)c(C)nc42)OCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 3/20 0.44
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
FYN P06241 1/20 0.39
MGLL Q99685 1/20 0.38
MAPT P10636 1/20 0.38
CRHR1 P34998 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL10659049 0.84 HPGD (0.35) EPHB4SMN1; SMN2TSHRLMNAHTT
SCHEMBL10377181 0.84 EPHB4 (0.48) EPHB4SMN1; SMN2CYP1A2LMNAL3MBTL1
SCHEMBL10659635 0.81 CYP1A2 (0.39) EPHB4CYP1A2TSHRLMNAKMT2A
SCHEMBL10657544 0.80 EPHB4 (0.44) EPHB4SMN1; SMN2CYP1A2LMNAL3MBTL1
SCHEMBL10377092 0.79 EPHB4 (0.48) EPHB4SMN1; SMN2CYP1A2L3MBTL1USP2
SCHEMBL10653938 0.78 EPHB4 (0.52) EPHB4SMN1; SMN2CYP1A2TSHRLMNA
SCHEMBL10654531 0.76 SMN1; SMN2 (0.46) EPHB4SMN1; SMN2CYP1A2L3MBTL1USP2
SCHEMBL10659042 0.75 EPHB4 (0.34) EPHB4ALDH1A1
SCHEMBL10378461 0.73 EPHB4 (0.51) EPHB4SMN1; SMN2LMNAL3MBTL1USP2
SCHEMBL10657373 0.73 POLB (0.36) SMN1; SMN2CYP1A2TSHRLMNAHTT

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