SCHEMBL8905159

SCHEMBL8905159

CCc1nc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2n1-c1cccc(-c2ccccc2C#N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
SLC6A9 P48067 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H3 Q13133 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL8905594 0.94 PPARG (0.39) F2BRD1BRPF1HTTCYP1A2
SCHEMBL8906332 0.83 F2 (0.37) F2HTTCYP1A2CYP2C9CYP2C19
SCHEMBL8788802 0.79 PPARG (0.54) F2PPARG
SCHEMBL8905456 0.79 AGTR1 (0.42) PPARG
SCHEMBL8907244 0.78 F2 (0.36) F2HTTCYP1A2CYP2C9CYP2C19
SCHEMBL8906556 0.75 PPARG (0.44) SLC6A9HTTCYP2C9NPSR1L3MBTL1
SCHEMBL8788901 0.74 PPARG (0.65) PPARG
SCHEMBL8905540 0.69 AGTR1 (0.41) PPARG
SCHEMBL8905487 0.69 AGTR1 (0.42) PPARG
SCHEMBL8905634 0.68 AGTR1 (0.43) PPARG

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