SCHEMBL9761081

SCHEMBL9761081

O=c1[nH]c(=O)c2cc(Cc3ccccc3Cl)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
PARP1 P09874 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
AR P10275 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DAO P14920 2/20 0.43
NR3C1 P04150 2/20 0.43
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR3C2 P08235 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
TYMP P19971 1/20 0.39

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
SCHEMBL7033158 0.85 LMNA (0.46) KDM4ECA12CA9PARP1LMNA
SCHEMBL7028533 0.81 KDM4E (0.53) KDM4ECA12CA9PARP1LMNA
SCHEMBL7025839 0.80 CA12 (0.45) KDM4ECA12CA9PARP1LMNA
SCHEMBL7034143 0.76 CA12 (0.50) KDM4ECA12CA9PARP1MAPT
SCHEMBL7029630 0.75 KDM4E (0.53) KDM4ECA12CA9PARP1MAPT
SCHEMBL7032078 0.74 CA12 (0.40) KDM4ECA12CA9PARP1LMNA
SCHEMBL7030552 0.73 PARP1 (0.44) KDM4ECA12CA9PARP1LMNA
SCHEMBL7028562 0.73 CA12 (0.47) KDM4ECA12CA9PARP1MAPT
SCHEMBL20942693 0.72 GAA (0.66) KDM4ECA12CA9PARP1MAPT
SCHEMBL7028337 0.72 CA12 (0.50) KDM4ECA12CA9PARP1MAPT

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
US-5037829-A Antitumor Activity; Androgen, Estrogen Inhibitors; Suppress The Plasma Elimination Of Retinoids JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-06 US disclosed