SCHEMBL8905588

SCHEMBL8905588

CCCc1nc2ccc(NCS(=O)(=O)c3ccccc3)cc2n1-c1ccc(-c2ccccc2)c(C#N)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.35
RORC P51449 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
EDNRA P25101 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL8905157 0.94 ALDH1A1 (0.33) RORCALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL8907232 0.82 CYP3A4 (0.31) RORCALDH1A1THRBHPGD
SCHEMBL8905446 0.82 AGTR1 (0.38)
SCHEMBL8905887 0.77 EDNRA (0.37) PPARGEDNRA
SCHEMBL8788895 0.76 PPARG (0.64) PPARG
SCHEMBL8906329 0.76 CYP1A2 (0.33)
SCHEMBL8907135 0.73 AGTR1 (0.36) EDNRA
SCHEMBL8905483 0.72 AGTR1 (0.38)
SCHEMBL8788798 0.71 PPARG (0.54) PPARGRORCEDNRA
SCHEMBL8906550 0.71 ALDH1A1 (0.41) PPARGALDH1A1TP53SMN1; SMN2LMNA

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