SCHEMBL6217049

SCHEMBL6217049

CCCN1C(=O)C(C)c2c1cc(-c1ccc(S(=O)(=O)N3CCN(Cc4ccc(OC)cc4)CC3)cc1)[nH]c2=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.52
ADORA2A P29274 5/20 0.52
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ADORA1 P30542 7/20 0.48
TSHR P16473 1/20 0.47
ADORA3 P0DMS8 4/20 0.47
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6218229 0.88 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6213809 0.83 ADORA2B (0.51) ADORA2BADORA2AALDH1A1ADORA1TSHR
SCHEMBL6268781 0.79 ADORA2B (0.59) ADORA2BADORA2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL6215790 0.77 ADORA2B (0.57) ADORA2BADORA2ALMNAADORA1TSHR
SCHEMBL6217649 0.76 ADORA2B (0.57) ADORA2BADORA2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4060729 0.76 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6214870 0.76 ADORA2B (0.57) ADORA2BADORA2AALDH1A1SMN1; SMN2ADORA1
SCHEMBL4059961 0.75 ADORA2B (0.79) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4049547 0.75 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6217412 0.74 ADORA2B (0.46) ADORA2BADORA2ALMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492793-A1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-01-05 EP disclosed
WO-2003082873-A1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2003-10-09 WO disclosed