SCHEMBL9312639

SCHEMBL9312639

ON=C(Cc1cc(O)c(O)c(O)c1O)NO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.36
▸ PRKCE Q02156 2/20 0.32
▸ MYLK Q15746 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31

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
SCHEMBL9313225 0.85 MEN1 (0.31) PTPN1PRKCEMYLKMEN1ALDH1A1
SCHEMBL9312627 0.82 MEN1 (0.38) MEN1ALDH1A1MAPTAPEX1RECQL
SCHEMBL9312668 0.81 ESR1 (0.33) ALDH1A1
SCHEMBL9313613 0.78 SELP (0.35) ALDH1A1MAPTAPEX1RECQLTDP1
SCHEMBL9313582 0.74 IAPP (0.39) ALDH1A1RECQLTDP1CA1CA2
SCHEMBL9314760 0.73 — —
SCHEMBL9313520 0.68 HSP90AB1 (0.42) —
SCHEMBL9312656 0.68 MAPT (0.48) MEN1ALDH1A1MAPTAPEX1RECQL
SCHEMBL30940420 0.64 AKR1B1 (0.52) PTPN1PRKCEMEN1ALDH1A1MAPT
SCHEMBL9313082 0.63 MEN1 (0.37) PTPN1PRKCEMYLKMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5366996-A Administering hydroxamic acids ELFORD HOWARD L (US) 1994-11-22 — — US disclosed
US-5183828-A Ribonucleotide reductase inhibitor and free radical scavenger RIET BARTHOLOMEUS VAN T (US) 1993-02-02 — — US disclosed
US-4942253-A INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS RIET BARTHOLOMEUS VAN T (US) 1990-07-17 — — US disclosed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 — — US disclosed
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