SCHEMBL6213809

SCHEMBL6213809

CCCN1C(=O)C(C)c2c1cc(-c1ccc(S(=O)(=O)N3CCN(CCc4ccccc4)CC3)cc1)[nH]c2=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.51
ADORA2A P29274 2/20 0.51
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ADORA1 P30542 6/20 0.47
ADORA3 P0DMS8 5/20 0.47
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6217049 0.83 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6218229 0.82 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6217412 0.76 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL4052034 0.75 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4054170 0.74 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3
SCHEMBL6268781 0.73 ADORA2B (0.59) ADORA2BADORA2AKMT2AMEN1ADORA1
SCHEMBL7030304 0.72 KMT2A (0.74) ADORA2BADORA2AKMT2AMEN1ALDH1A1
SCHEMBL6215448 0.72 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL7023315 0.72 KMT2A (0.78) ADORA2BADORA2AKMT2AMEN1ALDH1A1
SCHEMBL4058134 0.72 ADORA2B (0.72) ADORA2BADORA2AKMT2AMEN1ADORA1

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