SCHEMBL10657014

SCHEMBL10657014

O=c1c2c(c3ncccc3n1-c1ccccn1)OCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
CRBN Q96SW2 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
DPP4 P27487 1/20 0.33
RECQL P46063 1/20 0.33
PDE4A P27815 1/20 0.33
SLC11A2 P49281 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL10655328 0.87 GAA (0.42) GAAMAPK1CRBNRAB9AALDH1A1
SCHEMBL10657180 0.86 REN (0.36) GAAMAPK1ALDH1A1PDE4AKAT2B
SCHEMBL10658778 0.81 GAA (0.41) GAAMAPK1CRBNALDH1A1GABRA1
SCHEMBL10658258 0.80 USP14 (0.41) ALDH1A1PDE4AHPGDHSD17B10POLB
SCHEMBL10659547 0.80 ALDH1A1 (0.41) MAPK1RAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL10658485 0.80 HPGD (0.37) MAPK1RAB9AALDH1A1SMN1; SMN2PDE4A
SCHEMBL10654091 0.79 KDM4E (0.35) GAAALDH1A1HTTRECQLSLC11A2
SCHEMBL10660843 0.78 MAPT (0.39) GAARAB9AALDH1A1SMN1; SMN2HTT
SCHEMBL10659134 0.77 KAT2B (0.40) GAAMAPK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10654535 0.77 PKM (0.42) GAAMAPK1RAB9AALDH1A1PDE4A

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