SCHEMBL10659563

SCHEMBL10659563

O=c1c2c(n(-c3nccs3)c3ccccc13)OCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KMT2A Q03164 5/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
SCN9A Q15858 1/20 0.36
UBE2I P63279 1/20 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
SCHEMBL10656845 0.93 HPGD (0.38) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL10659559 0.85 KDM4E (0.36) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL10740782 0.81 HPGD (0.39) MAPTALDH1A1GAAKMT2AHPGD
SCHEMBL10659228 0.78 ACHE (0.36) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL10658516 0.77 KDM4E (0.44) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL10657064 0.74 KDM4E (0.41) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL4870334 0.73 KDM4E (0.49) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL10659035 0.73 HPGD (0.40) KDM4EALDH1A1GAAG6PDMPI
SCHEMBL10658269 0.73 HKDC1 (0.41) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL10654091 0.71 KDM4E (0.35) KDM4EMAPTALDH1A1GAATDP1

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