SCHEMBL8206949

SCHEMBL8206949

COc1ccc(CNC(=O)c2cc(Cl)sc2N)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.56
APEX1 P27695 1/20 0.55
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8212496 0.92 GAA (0.56) LMNAKMT2AAPEX1HPGD
SCHEMBL8210271 0.87 KMT2A (0.57) LMNAKMT2AALDH1A1APEX1SMN1; SMN2
SCHEMBL8210433 0.85 KMT2A (0.55) LMNAKMT2AALDH1A1APEX1SMN1; SMN2
SCHEMBL7890876 0.82 ALDH1A1 (0.54) LMNAKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8207980 0.81 GAA (0.55) LMNAKMT2AAPEX1HPGD
SCHEMBL8206426 0.80 GAA (0.53) LMNAKMT2AAPEX1HPGDHSD17B10
SCHEMBL8211454 0.79 KMT2A (0.51) LMNAKMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8199066 0.79 LMNA (0.52) LMNAKMT2AHPGDSMN1; SMN2
SCHEMBL7890903 0.79 NR1H4 (0.57) LMNAKMT2AALDH1A1APEX1SMN1; SMN2
SCHEMBL8200539 0.78 HSP90AA1 (0.55) LMNAKMT2AALDH1A1APEX1HPGD

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