SCHEMBL8209588

SCHEMBL8209588

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
HPGD P15428 3/20 0.50
ROCK2 O75116 1/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.43
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL7422687 0.92 LMNA (0.50) LMNAHPGDROCK2GAAMEN1
SCHEMBL8245383 0.91 ROCK2 (0.52) LMNAHPGDROCK2GAAMEN1
SCHEMBL8200517 0.91 SMN1; SMN2 (0.53) LMNAHPGDGAAMEN1KMT2A
SCHEMBL8207730 0.89 ALDH1A1 (0.51) LMNAHPGDROCK2GAAMEN1
SCHEMBL8199066 0.84 LMNA (0.52) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7888438 0.83 ROCK2 (0.52) LMNAHPGDROCK2GAAMEN1
SCHEMBL7892988 0.83 NR1H4 (0.58) HPGDGAAKMT2ASMN1; SMN2MAPT
SCHEMBL8207400 0.83 CNR2 (0.49) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8210714 0.83 KDM4E (0.51) LMNAHPGDGAAMEN1KMT2A
SCHEMBL7428203 0.81 ALDH1A1 (0.53) LMNAHPGDROCK2GAAMEN1

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