SCHEMBL8341852

SCHEMBL8341852

CSc1nc(C)nc(SC)c1NC(=O)N(Cc1ccc(C(C)C)cc1)C1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 7/20 0.42
DCUN1D1 Q96GG9 7/20 0.42
POLB P06746 1/20 0.41
GCGR P47871 3/20 0.39
ACHE P22303 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8340911 0.89 GCGR (0.42) UBE2MDCUN1D1GCGR
SCHEMBL8339190 0.88 UBE2M (0.39) UBE2MDCUN1D1POLBGCGR
SCHEMBL8344008 0.80 MAPT (0.38) UBE2MDCUN1D1POLBGCGRKDM4E
SCHEMBL8341238 0.80 UBE2M (0.40) UBE2MDCUN1D1GCGR
SCHEMBL8340871 0.80 UBE2M (0.42) UBE2MDCUN1D1POLBGCGRKDM4E
SCHEMBL8341438 0.79 MAPT (0.37) UBE2MDCUN1D1POLBGCGRKDM4E
SCHEMBL8345061 0.78 GCGR (0.39) UBE2MDCUN1D1GCGR
SCHEMBL9207645 0.77 ALDH1A1 (0.38) ACHEKDM4EALDH1A1KMT2A
SCHEMBL8345291 0.77 SLC6A2 (0.40) UBE2MDCUN1D1GCGR
SCHEMBL8856113 0.76 UBE2M (0.40) UBE2MDCUN1D1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 EP claimed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO claimed
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 US disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 WO disclosed