SCHEMBL7215544

SCHEMBL7215544

COC(=O)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
KDM4E B2RXH2 2/20 0.67
SIRT5 Q9NXA8 1/20 0.54
CFTR P13569 2/20 0.53
EIF4E P06730 4/20 0.52
TLR7 Q9NYK1 1/20 0.51
SDHB P21912 1/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL7217145 0.92 KDM4E (0.59) ALDH1A1MEN1KMT2AKDM4ESIRT5
SCHEMBL7222075 0.86 ALDH1A1 (0.84) ALDH1A1MEN1KMT2AKDM4ESIRT5
SCHEMBL7215074 0.85 CYP19A1 (0.50) ALDH1A1MEN1KMT2AKDM4EEIF4E
SCHEMBL28743338 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AKDM4ECFTR
SCHEMBL27538601 0.83 SDHB (0.57) ALDH1A1MEN1KMT2AKDM4ETLR7
SCHEMBL12171832 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4ECFTR
SCHEMBL1197917 0.83 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4ESIRT5
SCHEMBL7220984 0.83 RAB9A (0.55) ALDH1A1MEN1KMT2AKDM4EEIF4E
SCHEMBL23539630 0.83 MAPT (0.72) ALDH1A1MEN1KMT2AKDM4ECFTR
SCHEMBL7824610 0.83 PDK2 (0.54) SDHBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545009-B1 Imidazole, oxazole and thiazole derivatives for regulation of peroxisome proliferator-activated receptor function; improving insulin resistance, treating impaired glucose tolerance and obesity, enhancing insulin sensitivity, etc. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-08 US disclosed
EP-1092711-A1 RETINOID-ASSOCIATED RECEPTOR REGULATORS Takeda Chemical Industries, Ltd. (JP) 2001-04-18 EP disclosed