SCHEMBL9313082

SCHEMBL9313082

N=C(N)Cc1cc(O)c(O)c(O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.37
▸ RECQL P46063 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ PTPN1 P18031 3/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ RAD52 P43351 2/20 0.37
▸ GAPDH P04406 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PRKCE Q02156 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MYLK Q15746 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9313957 0.83 MEN1 (0.34) MEN1RECQLKMT2ATDP1PTPN1
SCHEMBL9313910 0.79 MEN1 (0.48) MEN1RECQLKMT2ATDP1APEX1
SCHEMBL11058291 0.77 CA2 (0.40) MEN1RECQLKMT2ATDP1PTPN1
SCHEMBL9313934 0.77 ESR2 (0.37) MEN1KMT2ATDP1MAPTALDH1A1
SCHEMBL9312501 0.74 HTR1D (0.44) MEN1RECQLKMT2ATDP1APEX1
SCHEMBL9312616 0.74 HTR3E (0.44) MEN1RECQLKMT2ATDP1APEX1
SCHEMBL3397478 0.70 ALOX15 (0.48) MEN1RECQLKMT2ATDP1PTPN1
SCHEMBL30940420 0.70 AKR1B1 (0.52) MEN1RECQLKMT2ATDP1PTPN1
SCHEMBL9312564 0.70 LMNA (0.44) RECQLTDP1ALDH1A1ALOX15HSD17B10
SCHEMBL9312477 0.70 EGFR (0.44) TDP1MAPTALDH1A1ALOX15HSD17B10

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
Send feedback