SCHEMBL8338175

SCHEMBL8338175

CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(-c2ccccc2)cc1)C1CCc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.37
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
SPR P35270 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
PYGL P06737 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8341275 0.90 SOAT1 (0.36) SOAT1P2RX3P2RX2SPRMAPT
SCHEMBL8345310 0.90 SLC6A2 (0.37) SOAT1P2RX3P2RX2SPRMAPT
SCHEMBL8344496 0.85 SOAT1 (0.36) SOAT1SPRMAPTKMT2A
SCHEMBL8344843 0.84 KDM4E (0.42) SOAT1UBE2MDCUN1D1
SCHEMBL8340871 0.79 UBE2M (0.42) SOAT1KMT2AUBE2MDCUN1D1
SCHEMBL8339190 0.76 UBE2M (0.39) SOAT1UBE2MDCUN1D1
SCHEMBL8808860 0.76 USP2 (0.43) SOAT1MAPTKMT2AUBE2MDCUN1D1
SCHEMBL8345291 0.75 SLC6A2 (0.40) SOAT1UBE2MDCUN1D1
SCHEMBL8345061 0.74 GCGR (0.39) SOAT1UBE2MDCUN1D1
SCHEMBL8341257 0.74 SOAT1 (0.38) SOAT1MAPTUBE2MDCUN1D1

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