SCHEMBL7039863

SCHEMBL7039863

O=C(O)c1cc(C(=O)O)cc(N2N=C(c3ccccc3)CC2c2ccccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ HSP90AA1 P07900 1/20 0.61
▸ TLR9 Q9NR96 1/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ MMP2 P08253 4/20 0.55
▸ MMP8 P22894 4/20 0.55
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ EGFR P00533 1/20 0.50
▸ ERBB2 P04626 1/20 0.50
▸ PDE5A O76074 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL1514533 0.84 MEN1 (0.67) MEN1KMT2AHSP90AA1NPSR1L3MBTL1
SCHEMBL28810693 0.77 L3MBTL1 (0.79) MEN1KMT2AHSP90AA1TLR9NPSR1
SCHEMBL27955203 0.75 EGFR (0.71) MEN1KMT2AHSP90AA1TLR9L3MBTL1
SCHEMBL27955196 0.75 EGFR (0.71) MEN1KMT2AHSP90AA1TLR9NPSR1
SCHEMBL27955191 0.75 EGFR (0.71) MEN1KMT2AHSP90AA1TLR9NPSR1
SCHEMBL27955195 0.75 EGFR (0.71) MEN1KMT2AHSP90AA1TLR9MMP2
SCHEMBL3600995 0.74 PKM (0.62) MEN1KMT2AHSP90AA1TLR9NPSR1
SCHEMBL28205908 0.74 NPSR1 (0.74) MEN1KMT2ANPSR1POLBCA1
SCHEMBL10016510 0.72 POLB (1.00) MEN1KMT2ANPSR1POLBCA1
SCHEMBL3594537 0.72 PKM (0.63) MEN1KMT2AHSP90AA1TLR9MMP2

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
EP-1292601-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2003-03-19 — — EP claimed
WO-2001092274-A2 NAALADASE INHIBITORS FOR TREATING RETINAL DISORDERS AND GLAUCOMA GUILFORD PHARMACEUTICALS INC. (US) 2001-12-06 — — WO claimed
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