SCHEMBL7214966

SCHEMBL7214966

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 2/20 0.60
SCN10A Q9Y5Y9 1/20 0.53
MAPT P10636 3/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
SHMT2 P34897 1/20 0.51
EIF4E P06730 2/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL7214925 0.88 KDM4E (0.70) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7221542 0.88 ALDH1A1 (0.55) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7221406 0.86 MAPT (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5698744 0.85 KDM4E (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7220948 0.84 NPC1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7215145 0.83 MAPT (0.61) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7217201 0.82 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7217216 0.82 RAB9A (0.71) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
Bromide SCHEMBL7215820 0.82 KDM4E (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7215217 0.82 KDM4E (0.59) KDM4ENPC1RAB9ASMN1; 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