SCHEMBL9433069

SCHEMBL9433069

CC(C)Oc1c(C(N)=O)oc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.51
ALOX5 P09917 1/20 0.46
PARP10 Q53GL7 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
MEN1 O00255 2/20 0.44
SLC26A4 O43511 2/20 0.44
KMT2A Q03164 2/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL9432912 0.91 EDNRA (0.60) EDNRACASP3SENP8SENP7SENP6
SCHEMBL9432759 0.88 EDNRA (0.54) EDNRACASP3SENP8SENP7SENP6
SCHEMBL9434052 0.83 KDM4E (0.53) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9433079 0.81 EDNRA (0.51) EDNRACASP3SENP8SENP7SENP6
SCHEMBL9433674 0.81 ICAM1 (0.56) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9433730 0.79 KDM4E (0.43) PKMMEN1KMT2A
SCHEMBL9433007 0.79 ICAM1 (0.53) MAOBMAOAMEN1KMT2A
SCHEMBL9433895 0.77 KDM4E (0.47) PKMMEN1KMT2AATM
SCHEMBL720265 0.76 CASP3 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL24470816 0.76 CASP3 (0.80) CASP3SENP8SENP7SENP6L3MBTL1

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