SCHEMBL9433720

SCHEMBL9433720

NC(=O)c1sc2ccc(OCc3ccccc3)cc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.60
PRNP P04156 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 1/20 0.54
HTT P42858 1/20 0.54
MAPK10 P53779 1/20 0.54
NCOA2 Q15596 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PARP10 Q53GL7 1/20 0.50
MAOB P27338 6/20 0.49
MAOA P21397 3/20 0.49
DYRK1A Q13627 1/20 0.47
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL9372198 0.89 EDNRA (0.61) EDNRAMAOBMAOADYRK1ACASP3
SCHEMBL15465845 0.87 EDNRA (0.59) EDNRAMAPK1NPSR1RXFP1MAOB
SCHEMBL9432904 0.82 EDNRA (0.60) EDNRAPARP10MAOBMAOAPLAU
SCHEMBL8442498 0.82 ICAM1 (0.61) EDNRAPRNPTSHRMAPK1PPARG
SCHEMBL9433072 0.80 PRNP (0.81) PRNPTSHRMAPK1PPARGHTT
SCHEMBL9374477 0.79 DYRK1A (0.56) EDNRAPRNPTSHRMAPK1PPARG
SCHEMBL19696359 0.77 EDNRA (0.49) EDNRANPSR1KDM4EALDH1A1
SCHEMBL23474866 0.77 DYRK1A (0.54) EDNRAPRNPTSHRMAPK1PPARG
SCHEMBL8021187 0.77 DYRK1A (0.53) EDNRAPRNPTSHRMAPK1PPARG
SCHEMBL3156910 0.77 ALOX5 (0.58) EDNRAMAOBMAOACYP3A4ALOX5

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-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed