SCHEMBL6176464

SCHEMBL6176464

CNC(=O)c1ccc2c(c1)ncn2C(C)CO

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
PLK1 P53350 1/20 0.40
THRB P10828 1/20 0.40
MAPK10 P53779 1/20 0.40
NAMPT P43490 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL6177681 1.00 HCAR3 (0.54) HCAR3RIPK1RIPK3ALDH1A1HPGD
SCHEMBL7721164 0.87 HCAR3 (0.72) HCAR3RIPK1RIPK3ALDH1A1HPGD
SCHEMBL6178549 0.85 HCAR3 (0.58) HCAR3ALDH1A1HPGDMEN1KMT2A
SCHEMBL6175805 0.83 ALDH1A1 (0.48) HCAR3ALDH1A1HPGDMEN1KMT2A
SCHEMBL6277706 0.77 RIPK1 (0.49) HCAR3RIPK1RIPK3ALDH1A1HPGD
SCHEMBL6175661 0.77 RIPK1 (0.49) HCAR3RIPK1RIPK3ALDH1A1HPGD
SCHEMBL8360112 0.76 NAMPT (0.61) HCAR3RIPK1RIPK3ALDH1A1HPGD
SCHEMBL9597592 0.76 RIPK1 (0.48) RIPK1RIPK3ALDH1A1HPGDMEN1
SCHEMBL6176252 0.75 HCAR3 (0.44) HCAR3ALDH1A1HPGDMEN1KMT2A
SCHEMBL30483201 0.74 HCAR3 (0.46) HCAR3RIPK1RIPK3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO disclosed