SCHEMBL7215145

SCHEMBL7215145

COC(=O)c1ccc(-c2nc(-c3ccc(C)cc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
RAB9A P51151 8/20 0.60
KDM4E B2RXH2 8/20 0.60
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 4/20 0.60
SREBF2 Q12772 1/20 0.60
TDP1 Q9NUW8 1/20 0.56
SIRT5 Q9NXA8 1/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL5698744 0.88 KDM4E (0.59) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7215217 0.88 KDM4E (0.59) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7217216 0.88 RAB9A (0.71) MAPTMEN1KMT2ARAB9AKDM4E
Bromide SCHEMBL7215820 0.88 KDM4E (0.59) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL27560241 0.85 LOXL2 (0.61) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7217201 0.85 KDM4E (0.56) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7221993 0.85 KDM4E (0.53) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7221977 0.85 RAB9A (0.56) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7221406 0.84 MAPT (0.59) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL7217101 0.84 KDM4E (0.78) MAPTMEN1KMT2ARAB9AKDM4E

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