SCHEMBL2578465

SCHEMBL2578465

Cc1cccc2[nH]c(-c3cccc(-c4nc5c(C)cccc5[nH]4)n3)nc12

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.73
ADORA3 P0DMS8 1/20 0.63
ADORA2A P29274 1/20 0.63
ADORA1 P30542 1/20 0.63
MGAM O43451 16/20 0.63
GAA P10253 16/20 0.63
SI P14410 16/20 0.63
MGAM2 Q2M2H8 16/20 0.63
ESR1 P03372 1/20 0.59

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
SCHEMBL1170892 0.88 MGAM (0.71) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL124191 0.85 CBFB (1.00) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL24589421 0.82 CBFB (0.60) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL30615069 0.80 MGAM (0.76) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL5074029 0.80 MGAM (0.76) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL20671434 0.79 CBFB (0.61) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL3140429 0.79 MGAM (0.59) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL6056826 0.79 MGAM (0.77) CBFBMGAMGAASIMGAM2
SCHEMBL31060640 0.78 ADORA3 (1.00) CBFBADORA3ADORA2AADORA1MGAM
SCHEMBL15319142 0.77 ESR1 (0.59) CBFBADORA3ADORA2AADORA1MGAM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484890-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO, IN PARTICULAR IN WATER Centre National de la Recherche Scientifique (CNRS) (FR) 2019-05-22 EP disclosed
WO-2018011229-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO, IN PARTICULAR IN WATER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-01-18 WO disclosed
WO-2016124611-A1 SELECTIVE PORPHYRIN-CATALYZED ELECTROCHEMICAL REDUCTION OF CO2 INTO CO IN WATER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-11 WO disclosed
WO-2011142848-A2 NANOPARTICLE ELECTRODES AND METHODS OF PREPARATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-11-17 WO disclosed
EP-1049117-B1 Ruthenium complex dye FUJIFILM CORP (JP) 2011-11-02 EP disclosed