SCHEMBL7220948

SCHEMBL7220948

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 5/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
EIF4E P06730 1/20 0.49
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
ADAM17 P78536 1/20 0.45
CYP19A1 P11511 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CSNK2A1 P68400 1/20 0.43
SREBF2 Q12772 1/20 0.43

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
SCHEMBL7215539 0.86 KDM4E (0.70) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7214966 0.84 KDM4E (0.60) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5698744 0.84 KDM4E (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7215145 0.82 MAPT (0.61) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7221977 0.81 RAB9A (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7217216 0.81 RAB9A (0.71) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
Bromide SCHEMBL7215820 0.81 KDM4E (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7215217 0.81 KDM4E (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7221406 0.81 MAPT (0.59) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7217201 0.79 KDM4E (0.56) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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