SCHEMBL5819062

SCHEMBL5819062

O=[C]c1ccc(N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
SCN2A Q99250 4/20 0.55
CA9 Q16790 3/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
NR1H3 Q13133 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.47
PPARA Q07869 2/20 0.46
PPARD Q03181 1/20 0.46

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
SCHEMBL4649471 0.85 KMT2A (0.78) KMT2AMEN1SCN2ACA9CA12
SCHEMBL11520347 0.82 PGR (0.63) KMT2AMEN1SCN2ACA9CA12
SCHEMBL9277245 0.79 KMT2A (0.69) KMT2AMEN1SCN2ACA9CA12
N-Phenyl-Phthalimide SCHEMBL123618 0.78 KMT2A (0.68) KMT2AMEN1SCN2ACA9CA12
SCHEMBL19773976 0.78 KMT2A (0.68) KMT2AMEN1SCN2ACA9CA12
N-Phenyl-Phthalimide SCHEMBL29819622 0.78 KMT2A (0.68) KMT2AMEN1SCN2ACA9CA12
SCHEMBL30472945 0.77 ALDH1A1 (0.72) KMT2AMEN1SCN2ACA9CA12
SCHEMBL325212 0.77 ALDH1A1 (0.72) KMT2AMEN1SCN2ACA9CA12
SCHEMBL22252407 0.76 KMT2A (0.60) KMT2AMEN1SCN2ACA9CA12
SCHEMBL887456 0.75 NR1H3 (0.79) KMT2AMEN1SCN2ACA9CA12

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed