SCHEMBL10657589

SCHEMBL10657589

O=c1c2c(c3nccnc3n1-c1cccc(Cl)c1)OCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.37
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
ALOX5 P09917 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10662007 0.93 ALDH1A1 (0.39) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL10377461 0.87 MAPT (0.35) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL10378428 0.87 PDE4A (0.39) CYP1A2CYP2C19MEN1KMT2AHPGD
SCHEMBL10660843 0.86 MAPT (0.39) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL10377181 0.85 EPHB4 (0.48) MAPTCYP1A2PDE4BPDE4DPDE4A
SCHEMBL9629146 0.85 MAPT (0.49) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL10660827 0.84 PDE4B (0.39) MAPTHPGDALDH1A1PDE4BPDE4D
SCHEMBL10378431 0.81 ALDH1A1 (0.37) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL10659366 0.80 GABRA1 (0.36) MAPTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL10379002 0.80 HPGD (0.35) CYP1A2CYP2C19MEN1KMT2AHPGD

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