SCHEMBL7220726

SCHEMBL7220726

Cc1cc(-c2csc(-c3ccc(C(=O)O)cc3)n2)c(C)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
EIF4E P06730 1/20 0.47
MAPT P10636 1/20 0.47
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL7215841 0.86 EIF4E (0.49) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7221741 0.86 KDM4E (0.53) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7215857 0.79 KDM4E (0.58) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7217101 0.78 KDM4E (0.78) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7221281 0.77 KDM4E (0.68) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7217159 0.77 KDM4E (0.66) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL24272028 0.75 KDM4E (0.60) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7507983 0.75 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7221293 0.75 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2CRHBP
SCHEMBL7221315 0.75 L3MBTL1 (0.52) MEN1KMT2ARARARARBRARG

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