SCHEMBL8207980

SCHEMBL8207980

COc1ccc(CNC(=O)c2cc(C)sc2N)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
LMNA P02545 4/20 0.52
HPGD P15428 2/20 0.52
PDE5A O76074 2/20 0.47
APEX1 P27695 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
WDR5 P61964 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
SCHEMBL8212496 0.90 GAA (0.56) GAALMNAHPGDPDE5AAPEX1
SCHEMBL8210271 0.90 KMT2A (0.57) LMNAAPEX1KMT2A
SCHEMBL8206426 0.87 GAA (0.53) GAALMNAHPGDPDE5AAPEX1
SCHEMBL7426581 0.83 TSHR (0.49) GAALMNAHPGDKMT2AMEN1
SCHEMBL8206949 0.81 LMNA (0.57) LMNAHPGDAPEX1KMT2A
SCHEMBL7422687 0.79 LMNA (0.50) GAALMNAHPGDAPEX1KMT2A
SCHEMBL8209588 0.79 LMNA (0.50) GAALMNAHPGDKMT2AMEN1
SCHEMBL17241767 0.79 GAA (0.57) GAALMNAHPGDAPEX1
SCHEMBL8292287 0.79 GAA (0.57) GAALMNAHPGDAPEX1
SCHEMBL8297189 0.77 GAA (0.55) GAALMNAHPGDAPEX1KMT2A

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