SCHEMBL7734403

SCHEMBL7734403

CCCCn1ccc(-c2cc(Br)ccc2OCc2cccnc2)c(NC(=O)Nc2c(SC)cc(C)nc2SC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.37
LRRK2 Q5S007 6/20 0.35
BRD4 O60885 1/20 0.35
SOAT1 P35610 2/20 0.35
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7726344 0.86 SOAT1 (0.35) GRM2SOAT1ALDH1A1
SCHEMBL7736171 0.85 GRM2 (0.39) GRM2SOAT1
SCHEMBL7726027 0.82 SOAT1 (0.36) GRM2SOAT1ALDH1A1MAPT
SCHEMBL7734588 0.78 GRM2 (0.38) GRM2SOAT1MAPTNPSR1
SCHEMBL7738006 0.78 SOAT1 (0.39) GRM2SOAT1POLBALDH1A1
SCHEMBL7738806 0.78 GRM2 (0.38) GRM2SOAT1ALDH1A1
SCHEMBL7734469 0.78 SOAT1 (0.36) GRM2SOAT1
SCHEMBL7735770 0.78 SOAT1 (0.35) GRM2SOAT1
SCHEMBL7735581 0.74 LPAR1 (0.41) GRM2LRRK2BRD4SOAT1
SCHEMBL7737837 0.73 SOAT1 (0.35) GRM2SOAT1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6452008-B2 3-UREA COMPOUND FROM THE 3-AMIDO COMPOUND WITHOUT AZIDATION PROCESS WHICH HAS RISK OF EXPLOSION; REACTION WITH HYPOCHLORITE, HYPOBROMITE OR LEAD TETRAACETATE AND THEN AN AMINE; ACAT INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-6300500-B1 Preparation of pyridone derivatives using phthalimido containing starting material SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-10-09 US disclosed
EP-1086948-A1 PYRIDONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-28 EP disclosed