SCHEMBL8200517

SCHEMBL8200517

COC(=O)c1ccc(C(=O)Nc2sc(C)cc2C(=O)NCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL7892988 0.92 NR1H4 (0.58) SMN1; SMN2TDP1MAPTKMT2AALDH1A1
SCHEMBL8209588 0.91 LMNA (0.50) SMN1; SMN2TDP1MAPTLMNAKMT2A
SCHEMBL8199066 0.89 LMNA (0.52) SMN1; SMN2TDP1MAPTLMNAKMT2A
SCHEMBL8206929 0.88 ALDH1A1 (0.56) SMN1; SMN2TDP1MAPTLMNAKMT2A
SCHEMBL8207400 0.85 CNR2 (0.49) SMN1; SMN2LMNAKMT2AMEN1KDM4E
SCHEMBL8210714 0.85 KDM4E (0.51) SMN1; SMN2TDP1MAPTLMNAKMT2A
SCHEMBL7422687 0.83 LMNA (0.50) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL8210395 0.82 TDP1 (0.58) SMN1; SMN2TDP1KMT2AMEN1ALDH1A1
SCHEMBL8245383 0.82 ROCK2 (0.52) SMN1; SMN2TDP1MAPTLMNAKMT2A
SCHEMBL7430348 0.82 ALDH1A1 (0.53) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed