SCHEMBL5085672

SCHEMBL5085672

Cc1cccc(C)c1Nc1cccccc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
PTGS2 P35354 4/20 0.56
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
CXCR2 P25025 1/20 0.44
DHODH Q02127 1/20 0.44
POLB P06746 2/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CXCL8 P10145 1/20 0.42
AKR1B10 O60218 1/20 0.42
TRPA1 O75762 1/20 0.42
ABCB11 O95342 1/20 0.42
DHFR P00374 1/20 0.42

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
SCHEMBL5082965 0.85 RIPK1 (0.46) RAB9ANPC1PTGS2HSD17B10MAPT
SCHEMBL5088738 0.84 RIPK1 (0.47) RAB9ANPC1PTGS2HSD17B10MAPT
SCHEMBL5083060 0.83 NPC1 (0.60) RAB9ANPC1PTGS2HSD17B10MAPT
SCHEMBL1921293 0.83 RAPGEF4 (0.57) RAB9ANPC1PTGS2MAPTRAPGEF4
SCHEMBL4800221 0.81 RAPGEF4 (0.55) RAB9ANPC1PTGS2MAPTMAPK1
SCHEMBL7643916 0.80 PTGS2 (0.52) RAB9ANPC1PTGS2HSD17B10ALOX12
SCHEMBL5086126 0.76 CXCL8 (0.56) RAB9ANPC1PTGS2HSD17B10MAPT
SCHEMBL5082967 0.76 NPC1 (0.52) RAB9ANPC1HSD17B10MAPTALOX12
SCHEMBL7851667 0.76 PTGS2 (0.73) PTGS2HSD17B10MAPTMAPK1POLB
SCHEMBL1821014 0.76 LMNA (0.51) RAB9ANPC1HSD17B10MAPTALOX12

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-7375242-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-20 US disclosed
US-20030027957-A1 Catalysts for olefin polymerization HICKS FREDERICK (US) 2003-02-06 US disclosed
US-6451940-B1 THE USE OF AMINOTROPONES AS LIGANDS FOR NICKEL CONTAINING OLEFIN POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-17 US disclosed