SCHEMBL7217101

SCHEMBL7217101

Cc1ccc(-c2csc(-c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.78
RAB9A P51151 10/20 0.78
NPC1 O15118 9/20 0.78
SMN1; SMN2 Q16637 7/20 0.78
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
ALDH1A1 P00352 5/20 0.72
SREBF2 Q12772 1/20 0.69
POLB P06746 1/20 0.66
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
MAPT P10636 3/20 0.60
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
RARA P10276 1/20 0.54
RARB P10826 1/20 0.54
RARG P13631 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL7221293 0.88 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7507983 0.88 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL14157037 0.86 KDM4E (0.80) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL14157036 0.86 KDM4E (0.80) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7215690 0.86 KDM4E (0.80) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7220939 0.86 KDM4E (0.80) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL28327240 0.85 KDM4E (0.86) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL1169786 0.85 KDM4E (0.78) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7221752 0.85 KDM4E (0.78) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7217213 0.85 KDM4E (1.00) KDM4ERAB9ANPC1SMN1; SMN2MEN1

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