SCHEMBL7214925

SCHEMBL7214925

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
ALDH1A1 P00352 3/20 0.70
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
EIF4E P06730 2/20 0.57
SHMT2 P34897 1/20 0.53
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL7214966 0.88 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7222214 0.87 KDM4E (0.70) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13281913 0.84 KDM4E (0.68) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7215197 0.83 KDM4E (0.75) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7215271 0.83 KDM4E (0.75) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7215539 0.82 KDM4E (0.70) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31703922 0.81 HDAC3 (0.52) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1169786 0.81 KDM4E (0.78) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7507983 0.81 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7221293 0.81 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; 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 4 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 claimed
EP-1092711-A1 RETINOID-ASSOCIATED RECEPTOR REGULATORS Takeda Chemical Industries, Ltd. (JP) 2001-04-18 EP claimed
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