SCHEMBL8907244

SCHEMBL8907244

CCCc1nc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2n1-c1cccc(-c2ccccc2-c2nnn[nH]2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL8906332 0.94 F2 (0.37) F2NPSR1POLBL3MBTL1HTT
SCHEMBL8905594 0.84 PPARG (0.39) F2NPSR1POLBL3MBTL1HTT
SCHEMBL8905456 0.80 AGTR1 (0.42)
SCHEMBL8789968 0.80 PPARG (0.49)
SCHEMBL8905808 0.79 ALDH1A1 (0.39) NPSR1L3MBTL1HTTALDH1A1MEN1
SCHEMBL8907048 0.78 AGTR1 (0.42) ALDH1A1
SCHEMBL8905159 0.78 F2 (0.38) F2NPSR1L3MBTL1HTTALDH1A1
SCHEMBL8905654 0.77 PPARG (0.31) CYP1A2PDE10A
SCHEMBL8906880 0.76 BRD9 (0.33) SMN1; SMN2HCAR1
SCHEMBL8905217 0.76 KDM4E (0.37) NPSR1L3MBTL1HTTALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed