SCHEMBL6828866

SCHEMBL6828866

Cc1cccc(NC(=O)N(C)c2nc(-c3ccccc3)c(-c3n[nH]c(=O)cc3C(C)C)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
CDK8 P49336 1/20 0.37
ROCK1 Q13464 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDR P35968 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADORA3 P0DMS8 4/20 0.36

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
SCHEMBL6828721 0.84 MET (0.44) NPSR1SMN1; SMN2MAPTTP53RXFP1
SCHEMBL6829256 0.83 HPGD (0.39) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL6133795 0.77 NPSR1 (0.42) NPSR1SMN1; SMN2MAPTTP53RXFP1
SCHEMBL6828337 0.74 CHEK1 (0.40) NPSR1MAPTALDH1A1PDGFRBAURKB
SCHEMBL6825993 0.73 ADORA3 (0.45) SMN1; SMN2TP53ALDH1A1NPC1RAB9A
SCHEMBL6828483 0.73 XIAP (0.44) NPSR1SMN1; SMN2MAPTTP53RXFP1
SCHEMBL6830646 0.72 ADORA2A (0.53) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6825783 0.72 ADORA1 (0.56) MAPTALDH1A1MEN1KMT2AADORA3
SCHEMBL6828357 0.71 ADORA2A (0.51) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL6828894 0.71 SMN1; SMN2 (0.44) NPSR1SMN1; SMN2RXFP1ALDH1A1NPC1

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-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed