SCHEMBL7217159

SCHEMBL7217159

O=C(O)c1ccc(-c2nc(-c3cc(Cl)sc3Cl)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.66
SMN1; SMN2 Q16637 9/20 0.66
NPC1 O15118 7/20 0.66
RAB9A P51151 7/20 0.66
CRHBP P24387 1/20 0.66
CRHR2 Q13324 1/20 0.66
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
EIF4E P06730 4/20 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
SCHEMBL7222081 0.86 KDM4E (0.57) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7221617 0.85 KDM4E (0.54) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7217234 0.80 KDM4E (0.68) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7215837 0.78 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7217213 0.78 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7220726 0.77 KDM4E (0.59) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7215184 0.75 KDM4E (0.73) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7507983 0.75 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL7221293 0.75 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL14157036 0.74 KDM4E (0.80) KDM4ESMN1; SMN2NPC1RAB9ACRHBP

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