SCHEMBL8722945

SCHEMBL8722945

NC(=O)c1cccc(NO)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PARP1 P09874 15/20 0.56
PARP10 Q53GL7 9/20 0.56
PARP15 Q460N3 5/20 0.56
PARP14 Q460N5 4/20 0.56
ROCK1 Q13464 1/20 0.50

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
SCHEMBL9921486 0.85 MEN1 (0.61) MEN1KMT2APARP1PARP10PARP15
SCHEMBL2475659 0.83 MEN1 (0.59) MEN1KMT2APARP1PARP10PARP15
SCHEMBL29490361 0.83 MEN1 (0.59) MEN1KMT2APARP1PARP10PARP15
SCHEMBL15387015 0.82 MEN1 (0.62) MEN1KMT2APARP1PARP10PARP15
SCHEMBL2566629 0.82 PARP1 (0.61) MEN1KMT2APARP1PARP10PARP15
SCHEMBL19091151 0.82 MEN1 (0.57) MEN1KMT2APARP1PARP10PARP15
SCHEMBL2850002 0.82 MEN1 (0.67) MEN1KMT2APARP1PARP10PARP15
SCHEMBL30727559 0.81 AKR1C3 (0.58) MEN1KMT2A
SCHEMBL2039191 0.81 AKR1C3 (0.58) MEN1KMT2A
SCHEMBL24934249 0.80 ALDH1A1 (0.61) MEN1KMT2APARP1

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-1998045298-A1 ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1998-10-15 WO disclosed