SCHEMBL8343943

SCHEMBL8343943

CSc1nc(C)nc(SC)c1NC(=O)NCC1(c2ccc(C)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.46
▸ SOAT2 O75908 1/20 0.45
▸ ACAT1 P24752 1/20 0.45
▸ SOAT1 P35610 1/20 0.45
▸ P2RX7 Q99572 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 2/20 0.37

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
SCHEMBL8338362 0.87 MCHR1 (0.43) MCHR1SOAT2ACAT1SOAT1P2RX7
SCHEMBL8344110 0.86 MCHR1 (0.44) MCHR1SOAT2ACAT1SOAT1P2RX7
SCHEMBL8345165 0.80 TP53 (0.46) SOAT2ACAT1SOAT1TP53LMNA
SCHEMBL8340881 0.79 TP53 (0.47) SOAT2ACAT1SOAT1TP53LMNA
SCHEMBL8344962 0.75 SOAT2 (0.41) MCHR1SOAT2ACAT1SOAT1P2RX7
SCHEMBL8341155 0.74 TP53 (0.48) SOAT2ACAT1SOAT1P2RX7TP53
SCHEMBL8341699 0.74 SOAT2 (0.42) MCHR1SOAT2ACAT1SOAT1P2RX7
SCHEMBL9818674 0.74 SOAT1 (0.78) MCHR1SOAT2ACAT1SOAT1TP53
SCHEMBL9818621 0.72 CNR1 (0.66) MCHR1TP53LMNAMEN1KMT2A
SCHEMBL8351482 0.72 TSHR (0.62) MCHR1P2RX7TP53LMNAMEN1

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 5 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
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 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
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