SCHEMBL22325742

SCHEMBL22325742

COc1ccc(CO)cc1.COc1ccc(COc2c(Br)ccc(N)c2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TLR4 O00206 1/20 0.37
▸ TLR2 O60603 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
SCHEMBL22326031 0.94 CYP19A1 (0.44) CYP19A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL22326032 0.90 CYP19A1 (0.41) CYP19A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL16738992 0.80 MGMT (0.50) CYP19A1MAPTMEN1LMNAKMT2A
SCHEMBL22325743 0.76 CYP19A1 (0.44) CYP19A1MAPTMEN1KMT2ACNR2
SCHEMBL15774527 0.76 HTT (0.46) MAPTSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL22326022 0.75 MAOB (0.47) MAPTSMN1; SMN2MEN1KMT2AMAOB
SCHEMBL29278446 0.74 MAPT (0.44) MAPTMAPK1MEN1LMNAKMT2A
SCHEMBL29056136 0.72 CYP19A1 (0.43) CYP19A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL29056138 0.71 CYP19A1 (0.45) CYP19A1MAPTSMN1; SMN2MAPK1MEN1
SCHEMBL29056137 0.70 CYP19A1 (0.40) CYP19A1MAPTSMN1; SMN2MEN1KMT2A

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 — — WO disclosed
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