SCHEMBL97465

SCHEMBL97465

O=C1NC(=O)C(Cc2cc(=O)n(Cc3ccc(-c4ccccc4)cc3)c3ccccc23)S1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 8/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL97864 0.91 PPARG (0.49) FFAR1PPARAALDH1A1MEN1KMT2A
SCHEMBL97359 0.81 FFAR1 (0.48) FFAR1PPARAALDH1A1MAPTPPARG
SCHEMBL98226 0.79 CA2 (0.46) FFAR1PPARAALDH1A1KDM4EMAPT
SCHEMBL8685509 0.76 POLB (0.50) FFAR1PPARAALDH1A1KMT2APPARG
SCHEMBL100284 0.74 FFAR1 (0.50) FFAR1PPARAALDH1A1KDM4EMAPT
SCHEMBL4775009 0.74 FFAR1 (0.45) FFAR1PPARAALDH1A1MAPTPPARG
SCHEMBL4778666 0.74 FFAR1 (0.48) FFAR1PPARAALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5322809 0.73 MAPT (0.52) FFAR1PPARAALDH1A1MAPTPPARG
SCHEMBL6533189 0.73 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8811662 0.73 CHRNB2 (0.52) FFAR1PPARAALDH1A1MAPTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP claimed