SCHEMBL9645930

SCHEMBL9645930

NNC(=O)c1c(C(=O)O)ccc2ccc(N)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
GAA P10253 5/20 0.46
CYP3A4 P08684 2/20 0.46
ESR2 Q92731 1/20 0.46
PTPN1 P18031 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 2/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 1/20 0.42

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
SCHEMBL9645934 0.90 ALDH1A1 (0.42) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL10581986 0.85 KDM4E (0.53) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL7523007 0.84 ALDH1A1 (0.51) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL5480836 0.81 WDR5 (0.56) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL7258663 0.81 MYC (0.38) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL29572861 0.80 SLC16A3 (0.44) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL189571 0.80 SLC16A3 (0.44) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL3966511 0.80 MYC (0.37) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL998376 0.77 CYP1A2 (0.46) MAPTALDH1A1KDM4ETDP1GAA
SCHEMBL712805 0.77 WDR5 (0.51) MAPTALDH1A1KDM4ETDP1GAA

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-5106762-A Hydrophilic oligopeptides containing luminescent or fluorescent labels and metal or ammonium salt groups; immunoassay; water solubility; sensitivity GEORGETOWN UNIVERSITY (US) 1992-04-21 US disclosed