SCHEMBL29812109

SCHEMBL29812109

COc1ccc2[nH]c(I)cc2c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ BLM P54132 1/20 0.51
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NQO2 P16083 2/20 0.44
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ PABPC1 P11940 1/20 0.38
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37

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
SCHEMBL23144274 1.00 MAPT (0.51) MAPTKDM4ETDP1BLMMEN1
SCHEMBL4374371 0.78 KDM4E (0.55) MAPTKDM4ETDP1BLMMEN1
SCHEMBL28215127 0.74 TDP1 (0.56) MAPTKDM4ETDP1BLMMEN1
SCHEMBL4384056 0.73 MEN1 (0.47) MAPTKDM4ETDP1BLMMEN1
SCHEMBL29396391 0.72 TDP1 (0.62) MAPTKDM4ETDP1BLMMEN1
SCHEMBL1179747 0.72 TDP1 (0.62) MAPTKDM4ETDP1BLMMEN1
SCHEMBL12778105 0.70 KMT2A (0.53) MAPTKDM4EMEN1KMT2AMTNR1A
SCHEMBL7483015 0.69 MEN1 (0.54) MAPTKDM4ETDP1BLMMEN1
SCHEMBL31254142 0.69 CTSV (0.60) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL17950573 0.69 MAPT (0.48) MAPTKDM4ETDP1BLMMEN1

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-4034104-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2022-08-03 — — EP disclosed
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