SCHEMBL4013110

SCHEMBL4013110

O=[N+]([O-])c1ccc2c(CO)coc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CDK2 P24941 1/20 0.48
▸ PTPN1 P18031 1/20 0.43
▸ MAOB P27338 2/20 0.41
▸ S100A4 P26447 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PKLR P30613 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL4013102 0.88 PTPN1 (0.54) MAPTMEN1KMT2ACDK2PTPN1
SCHEMBL29947857 0.76 ALDH1A1 (0.52) MAPTMEN1KMT2APTPN1ALOX15
SCHEMBL31538188 0.76 MEN1 (0.50) MAPTMEN1KMT2APTPN1S100A4
SCHEMBL27889093 0.75 ALDH1A1 (0.51) MAPTMEN1KMT2ACDK2PTPN1
SCHEMBL27905678 0.74 KMT2A (0.53) MAPTMEN1KMT2APTPN1MAOB
SCHEMBL742927 0.73 PIM1 (0.55) MAPTMEN1KMT2AMAOBALOX15
SCHEMBL260788 0.72 CYP1A2 (0.51) MAPTS100A4ALOX15SMN1; SMN2POLB
SCHEMBL29367937 0.72 CYP1A2 (0.51) MAPTS100A4ALOX15SMN1; SMN2POLB
SCHEMBL29116218 0.72 PTPN1 (0.50) MAPTMEN1KMT2APTPN1MAOB
SCHEMBL18575851 0.72 ALDH2 (0.70) MAPTMEN1KMT2AMAOBALOX15

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-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 — — WO disclosed
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