SCHEMBL9034394

SCHEMBL9034394

O=C(O)C1CC(SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.43
ACE P12821 2/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A1 P30531 1/20 0.36
SLC6A11 P48066 1/20 0.36

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
SCHEMBL9034390 1.00 AGTR2 (0.43) AGTR2ACEKMT2ASLC6A1SLC6A11
SCHEMBL9035380 1.00 AGTR2 (0.43) AGTR2ACEKMT2ASLC6A1SLC6A11
SCHEMBL5492058 0.84 HTRA1 (0.41) AGTR2ACEKMT2A
SCHEMBL9034973 0.81 UCHL1 (0.33) AGTR2ACEKMT2A
SCHEMBL9032670 0.81 UCHL1 (0.33) AGTR2ACEKMT2A
SCHEMBL9032678 0.81 UCHL1 (0.33) AGTR2ACEKMT2A
SCHEMBL9033483 0.81 SLC6A1 (0.35) AGTR2SLC6A1SLC6A11
SCHEMBL9033488 0.81 SLC6A1 (0.35) AGTR2SLC6A1SLC6A11
SCHEMBL9034795 0.81 SLC6A1 (0.35) AGTR2SLC6A1SLC6A11
SCHEMBL5409304 0.80 CA12 (0.38) AGTR2ACEKMT2ASLC6A1SLC6A11

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
EP-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed