SCHEMBL6587568

SCHEMBL6587568

Cc1oc(-c2ccccc2)nc1COc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.49
KDR P35968 1/20 0.47
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 2/20 0.46
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
PPARD Q03181 3/20 0.46
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9721971 0.82 KDR (0.64) KDRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6585596 0.81 KDR (0.52) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6970205 0.80 GABRA5 (0.61) KDRFFAR1PPARGPPARAPPARD
SCHEMBL6584029 0.78 KDR (0.47) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6584026 0.78 KDR (0.47) KDRMAPTFFAR1PPARGPPARA
SCHEMBL8524587 0.78 FFAR1 (0.49) KDRMAPTFFAR1PPARGPPARA
SCHEMBL8524584 0.78 FFAR1 (0.49) KDRMAPTFFAR1PPARGPPARA
SCHEMBL8337476 0.76 PPARG (0.49) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6587031 0.75 PPARG (0.51) KDRMAPTFFAR1PPARGPPARA
SCHEMBL6587033 0.75 PPARG (0.51) KDRMAPTFFAR1PPARGPPARA

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
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 US disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed