SCHEMBL257438

SCHEMBL257438

Nc1nc(-c2ccc(Cl)cc2)c(C(=O)c2ccc(Cl)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.54
ADORA1 P30542 2/20 0.54
ADORA2A P29274 1/20 0.54
POLB P06746 1/20 0.53
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RORB Q92753 6/20 0.51
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRA5 P31644 1/20 0.47
RORC P51449 1/20 0.45

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
SCHEMBL257616 0.93 ADORA3 (0.64) ADORA3ADORA1ADORA2ALMNANPSR1
SCHEMBL178218 0.93 ADORA3 (0.60) ADORA3ADORA1ADORA2APOLBLMNA
SCHEMBL10092885 0.86 RORB (0.70) ADORA3ADORA1ADORA2ALMNANPSR1
SCHEMBL257393 0.86 RORB (0.60) ADORA3ADORA1ADORA2APOLBLMNA
SCHEMBL2315038 0.85 CCNA2 (0.47) NPSR1RORBALDH1A1MAPTSMN1; SMN2
SCHEMBL2491634 0.84 POLB (0.55) POLBNPSR1RORBHTTALDH1A1
SCHEMBL178204 0.83 CDK5 (0.58) ADORA3ADORA1ADORA2APOLBRORB
SCHEMBL257437 0.82 RORB (0.76) POLBRORBALDH1A1MAPTSMN1; SMN2
SCHEMBL257613 0.82 RORB (0.52) ADORA3ADORA1ADORA2ALMNANPSR1
SCHEMBL165773 0.81 ADORA3 (0.61) ADORA3ADORA1ADORA2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed