SCHEMBL7220939

SCHEMBL7220939

O=C(O)c1ccc(-c2nc(-c3ccncc3)cs2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.80
RAB9A P51151 11/20 0.80
SMN1; SMN2 Q16637 9/20 0.80
NPC1 O15118 8/20 0.80
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
ALDH1A1 P00352 3/20 0.70
AR P10275 2/20 0.66
LMNA P02545 2/20 0.62
CYP19A1 P11511 3/20 0.59
POLB P06746 1/20 0.59
GAA P10253 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58

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
SCHEMBL7215690 1.00 KDM4E (0.80) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7221293 0.89 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7507983 0.89 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL14157037 0.88 KDM4E (0.80) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL14157036 0.88 KDM4E (0.80) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7217101 0.86 KDM4E (0.78) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7221752 0.86 KDM4E (0.78) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL1169786 0.86 KDM4E (0.78) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7215837 0.86 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7217213 0.86 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2NPC1KMT2A

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