SCHEMBL9832175

SCHEMBL9832175

Cc1oc(-c2ccc(F)cc2)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
TARBP2 Q15633 6/20 0.52
PDCD4 Q53EL6 1/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
IKBKB O14920 2/20 0.45
POLB P06746 2/20 0.45
SLC9A1 P19634 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11625522 0.86 IKBKB (0.57) L3MBTL1TARBP2PDCD4KDM4EIKBKB
Hydrochloric Acid SCHEMBL11621803 0.85 TARBP2 (0.64) TARBP2PDCD4KDM4EGAAIKBKB
SCHEMBL2179708 0.85 TARBP2 (0.64) L3MBTL1TARBP2KDM4EGAAIKBKB
SCHEMBL9832492 0.84 TARBP2 (0.68) TARBP2PDCD4KDM4EGAAIKBKB
Hydrochloric Acid SCHEMBL11622676 0.83 TARBP2 (0.62) L3MBTL1TARBP2KDM4EGAAIKBKB
SCHEMBL11623837 0.83 HDAC6 (0.54) L3MBTL1TARBP2PDCD4KDM4EGAA
SCHEMBL6506172 0.83 TARBP2 (0.58) L3MBTL1TARBP2PDCD4KDM4EGAA
Hydrochloric Acid SCHEMBL11620733 0.83 TARBP2 (0.66) TARBP2PDCD4KDM4EGAAIKBKB
SCHEMBL6384893 0.81 TARBP2 (0.71) TARBP2PDCD4KDM4EIKBKBPOLB
SCHEMBL11623692 0.81 TARBP2 (0.80) L3MBTL1TARBP2PDCD4KDM4EGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638963-B1 N-ACYL NITROGEN HETEROCYCLES AS LIGANDS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
WO-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed