SCHEMBL6218447

SCHEMBL6218447

COc1cncnc1N1CCN(S(=O)(=O)c2ccc(-c3cc4c(c(=O)[nH]3)C(C)C(=O)N4C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
POLB P06746 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
GFER P55789 1/20 0.37
USP2 O75604 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
ADORA2B P29275 1/20 0.36
GCK P35557 1/20 0.36
MAP4K1 Q92918 1/20 0.36
MTOR P42345 1/20 0.35

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
SCHEMBL4057186 0.77 ADORA2B (0.63) ADORA2B
SCHEMBL6217412 0.70 ADORA2B (0.46) TP53ALDH1A1GAALMNASMN1; SMN2
SCHEMBL6217049 0.68 ADORA2B (0.52) POLBALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL6218229 0.63 ADORA2B (0.53) ADORA2B
SCHEMBL15381493 0.62 CYP3A4 (0.66) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL6214870 0.61 ADORA2B (0.57) ALDH1A1SMN1; SMN2ADORA2B
SCHEMBL6215790 0.60 ADORA2B (0.57) LMNAHTTTSHRADORA2B
SCHEMBL28017364 0.59 USP2 (0.52) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL27911916 0.59 GBA1 (0.58) LMNAMAPTHTTSMN1; SMN2KMT2A
SCHEMBL31652127 0.59 CYP1A2 (0.52) ALDH1A1LMNAMAPTKMT2AUSP2

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