SCHEMBL10662007

SCHEMBL10662007

O=c1c2c(c3nccnc3n1-c1cccc(Cl)c1)OCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHB4 P54760 1/20 0.36
ALOX5 P09917 2/20 0.36
PDE4B Q07343 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
ACHE P22303 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL10657589 0.93 MAPT (0.39) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL10659366 0.87 GABRA1 (0.36) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL10661938 0.87 PDE4A (0.38) ALDH1A1CYP1A2MEN1HPGDKMT2A
SCHEMBL10653938 0.86 EPHB4 (0.52) ALDH1A1MAPTCYP1A2HPGDEPHB4
SCHEMBL10377111 0.86 MAPT (0.47) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL10661953 0.85 PDE4B (0.38) ALDH1A1MAPTHPGDEPHB4ALOX5
SCHEMBL10659635 0.83 CYP1A2 (0.39) ALDH1A1MAPTCYP1A2CYP2C19HPGD
SCHEMBL9628920 0.83 MAPT (0.46) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL10378797 0.82 ALDH1A1 (0.39) ALDH1A1MAPTCYP1A2CYP2C19MEN1
SCHEMBL10655567 0.81 GABRA1 (0.36) ALDH1A1CYP1A2MEN1HPGDKMT2A

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