SCHEMBL29965394

SCHEMBL29965394

O=C(Oc1ccc2ccc3ccccc3c2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.58
PDGFRA P16234 1/20 0.58
KMT2A Q03164 4/20 0.57
PKM P14618 1/20 0.57
ALOX5 P09917 4/20 0.54
PTGES O14684 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 8/20 0.52
MEN1 O00255 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
HGFAC Q04756 1/20 0.51
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL30068475 0.86 ALDH1A1 (0.52) KMT2AALOX5PTGESALDH1A1GAA
SCHEMBL31365678 0.83 KMT2A (0.75) PDGFRBPDGFRAKMT2APKMPTGES
SCHEMBL27858102 0.83 KMT2A (0.75) PDGFRBPDGFRAKMT2APKMPTGES
SCHEMBL17898566 0.81 MAPT (0.53) PDGFRBPDGFRAKMT2APKMALOX5
SCHEMBL30128440 0.81 KMT2A (0.58) PDGFRBPDGFRAKMT2AALDH1A1KDM4E
SCHEMBL27661957 0.81 KMT2A (0.58) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL27945114 0.80 KMT2A (0.71) PDGFRBPDGFRAKMT2APKMPTGES
SCHEMBL18325183 0.80 MAPT (0.67) PDGFRBPDGFRAKMT2APKMALOX5
SCHEMBL4951809 0.80 KMT2A (0.84) KMT2APKMALOX5NR1H4ALDH1A1
SCHEMBL10636579 0.80 KMT2A (0.84) KMT2APKMALOX5NR1H4ALDH1A1

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
CN-115151260-A Fulvestrant prodrugs 卡希夫生物科学有限公司 2022-10-04 CN disclosed