SCHEMBL9879478

SCHEMBL9879478

NNC(=O)c1nc2cc(O)c(O)cc2cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 7/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MITF O75030 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 5/20 0.39
FHIT P49789 1/20 0.37
GFER P55789 1/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.36
NSD2 O96028 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL9879581 0.88 GAA (0.49) MAPTGAATDP1MEN1KMT2A
SCHEMBL9873241 0.83 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9871154 0.80 ALDH1A1 (0.47) MAPTGAATDP1MEN1KMT2A
SCHEMBL9872530 0.78 ALDH1A1 (0.35) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9425038 0.77 MAPT (0.37) MAPTGAATDP1MEN1KMT2A
Carbromal SCHEMBL9873682 0.72
SCHEMBL9319284 0.71 KEAP1 (0.50) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL2271379 0.70 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5709551 0.69 MAPT (0.57) MAPTGAATDP1MEN1KMT2A
SCHEMBL8571221 0.68 ALDH1A1 (0.58) MAPTGAATDP1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037983-A 6,7-dihydroxyquinoxalines as intermediates to beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1991-08-06 US disclosed
US-4904775-A Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1990-02-27 US disclosed