SCHEMBL8433947

SCHEMBL8433947

CO/N=C(\Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.61
MEN1 O00255 7/20 0.61
MAPT P10636 6/20 0.61
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
PKM P14618 1/20 0.56
LMNA P02545 2/20 0.55
SLC6A2 P23975 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR84 Q9NQS5 1/20 0.47

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
SCHEMBL1702738 0.83 MAPT (0.68) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL1754977 0.83 MAPT (0.68) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL8437808 0.82 GPR84 (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL560186 0.81 KMT2A (0.45) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL560187 0.81 KMT2A (0.45) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL14000650 0.79 PKM (0.52) KMT2AMEN1MAPTKDM4ESMN1; SMN2
Indole-3-Acetic Acid SCHEMBL29272535 0.78 MEN1 (0.73) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL20211099 0.77 MEN1 (0.71) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL29466101 0.77 PKM (0.73) KMT2AMEN1MAPTKDM4ESMN1; SMN2
SCHEMBL584367 0.77 PKM (0.73) KMT2AMEN1MAPTKDM4ESMN1; SMN2

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-1964835-A1 Derivatives of psammaplin A, a method for their synthesis and their use for the prevention or treatment of cancer Centre National de la Recherche Scientifique (FR) 2008-09-03 EP disclosed