SCHEMBL7217201

SCHEMBL7217201

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
MAPT P10636 7/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
TP53 P04637 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7221406 0.89 MAPT (0.59) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7215145 0.85 MAPT (0.61) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7849392 0.85 KDM4E (0.72) KDM4EMAPTNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL7215820 0.84 KDM4E (0.59) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7215217 0.84 KDM4E (0.59) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7217216 0.84 RAB9A (0.71) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5698744 0.84 KDM4E (0.59) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7214966 0.82 KDM4E (0.60) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27560241 0.82 LOXL2 (0.61) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7221977 0.82 RAB9A (0.56) KDM4EMAPTNPC1RAB9ASMN1; SMN2

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 3 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
CN-1314899-A Retinoid-associated receptor regulators TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-09-26 CN disclosed
EP-1092711-A1 RETINOID-ASSOCIATED RECEPTOR REGULATORS Takeda Chemical Industries, Ltd. (JP) 2001-04-18 EP disclosed