SCHEMBL5797006

SCHEMBL5797006

O=c1ccn(C(c2ccccc2)[N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.44
▸ DDB1 Q16531 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DUT P33316 11/20 0.40
▸ GAA P10253 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ MET P08581 2/20 0.35

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
SCHEMBL17243686 0.77 GAA (0.54) CRBNDDB1MEN1KMT2ADUT
SCHEMBL5796877 0.74 CRBN (0.49) CRBNDDB1DUTGAAPOLB
SCHEMBL5801201 0.72 CRBN (0.46) CRBNDDB1DUTGAAPOLB
SCHEMBL3993881 0.71 CRBN (0.45) CRBNDDB1DUTGAAPOLB
SCHEMBL2719765 0.65 CRBN (0.54) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL10642564 0.65 CRBN (0.48) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL4767721 0.64 CRBN (0.47) CRBNDDB1DUTGAAPKM
SCHEMBL28377970 0.64 KDM4E (0.43) MEN1KMT2AGAAPOLBPKM
SCHEMBL725455 0.64 CRBN (0.43) CRBNDDB1DUTPOLBHSD17B10
SCHEMBL2787886 0.64 CRBN (0.43) CRBNDDB1DUTPOLBHSD17B10

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-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 — — WO disclosed
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