SCHEMBL10654091

SCHEMBL10654091

O=c1c2c(c3ncccc3n1-c1nccs1)OCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
GAA P10253 2/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
MEN1 O00255 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.32
POLB P06746 3/20 0.32
SLC11A2 P49281 1/20 0.32
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL10659555 0.82 KDM4E (0.39) KDM4EKMT2AALDH1A1MAPTTDP1
SCHEMBL10657180 0.80 REN (0.36) ALDH1A1GAAKAT2B
SCHEMBL10657064 0.79 KDM4E (0.41) KDM4EKMT2AALDH1A1MAPTTDP1
SCHEMBL10657014 0.79 GAA (0.36) KDM4EALDH1A1GAAEP300KAT2B
SCHEMBL10658258 0.77 USP14 (0.41) KMT2AALDH1A1MAPTEP300KAT2A
SCHEMBL10658485 0.77 HPGD (0.37) KDM4EKMT2AALDH1A1MAPTEP300
SCHEMBL10659547 0.77 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1MAPTKAT2B
SCHEMBL10653955 0.76 KDM4E (0.38) KDM4EKMT2AALDH1A1MAPTTDP1
SCHEMBL10660843 0.75 MAPT (0.39) KDM4EKMT2AALDH1A1MAPTTDP1
SCHEMBL10656086 0.74 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1MAPTMEN1

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