SCHEMBL10378751

SCHEMBL10378751

COc1cccc(-n2c(=O)c3c(c4nccnc42)OC(C)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.45
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
CYP1A2 P05177 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ADORA2A P29274 2/20 0.37
KAT2B Q92831 1/20 0.36
GRM2 Q14416 1/20 0.36
XDH P47989 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 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
SCHEMBL10654513 0.88 KAT2B (0.41) EPHB4KDM4EALDH1A1HSD17B10TSHR
SCHEMBL10657534 0.87 CYP1A2 (0.40) KDM4EALDH1A1PDE4BPDE4DCYP1A2
SCHEMBL9629788 0.87 KAT2B (0.45) EPHB4KDM4EALDH1A1HSD17B10TSHR
SCHEMBL10377397 0.86 PDE4A (0.39) KDM4EALDH1A1HSD17B10PDE4BPDE4D
SCHEMBL10657771 0.84 PDE4B (0.39) EPHB4KDM4EALDH1A1HSD17B10TSHR
SCHEMBL10377181 0.81 EPHB4 (0.48) EPHB4PDE4BPDE4DCYP1A2PDE4A
SCHEMBL10379155 0.79 HPGD (0.36) KDM4EALDH1A1HSD17B10TSHRPDE4B
SCHEMBL10653938 0.79 EPHB4 (0.52) EPHB4KDM4EALDH1A1HSD17B10TSHR
SCHEMBL10655387 0.78 SMN1; SMN2 (0.44) KDM4EALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL10379024 0.76 PKM (0.45) KDM4EALDH1A1HSD17B10TSHRPDE4B

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
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 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