SCHEMBL9628997

SCHEMBL9628997

O=c1c2c(n(-c3ccccc3)c3ncccc13)OCCC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4A P27815 8/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
LDHA P00338 1/20 0.39
ACHE P22303 2/20 0.38
KCNH2 Q12809 1/20 0.38
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
LOXL3 P58215 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPK8 P45983 2/20 0.36
REN P00797 2/20 0.35

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
SCHEMBL9352322 0.93 FEN1 (0.47) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9628863 0.90 CYP2C19 (0.43) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL10377177 0.90 HPGD (0.43) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9629205 0.90 HPGD (0.43) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL10377465 0.88 MAPT (0.45) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9628890 0.87 PKM (0.43) ALDH1A1TSHRPDE4BKCNH2
SCHEMBL10654497 0.85 PDE4B (0.41) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL10378415 0.85 EPHB4 (0.44) PDE4BPDE4DLDHA
SCHEMBL9629711 0.84 PDE4B (0.41) ALDH1A1CYP2C19PDE4BPDE4DACHE
SCHEMBL10379031 0.84 PDE4A (0.33) FEN1ALDH1A1TSHRCYP2C19PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP claimed
EP-0228416-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1990-03-21 EP claimed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP claimed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO claimed
EP-0228416-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES. SCHERING CORP (US) 1987-07-15 EP claimed
WO-1986007537-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1986-12-31 WO claimed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP claimed
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP disclosed
EP-0127135-B1 FUSED TRICYCLIC DERIVATIVES OF NAPHTHYRIDINONE AND PYRIDONE AND THE CORRESPONDING THIONES SCHERING CORPORATION (US) 1990-08-29 EP disclosed
EP-0228416-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1990-03-21 EP disclosed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP disclosed
US-4801589-A QUINOLINE, NAPHTHYRIDINE, AND PYRIDO-PYRAZINE DERIVATIVES SCHERING CORPORATION (US) 1989-01-31 US disclosed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO disclosed
US-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
EP-0228416-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES. SCHERING CORP (US) 1987-07-15 EP 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
WO-1986007537-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1986-12-31 WO disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed