SCHEMBL9312501

SCHEMBL9312501

N=C(N)Cc1c(O)c(O)cc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ RECQL P46063 5/20 0.38
▸ TDP1 Q9NUW8 5/20 0.38
▸ APEX1 P27695 3/20 0.38
▸ BLM P54132 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RAD52 P43351 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ AGO2 Q9UKV8 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 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
SCHEMBL9312561 0.79 HTR1D (0.40) HTR1DHTR1BHTR3EHTR3BHTR3A
SCHEMBL9313535 0.79 RECQL (0.33) HTR1DHTR1BRECQLTDP1APEX1
SCHEMBL9312616 0.76 HTR3E (0.44) HTR1DHTR1BRECQLTDP1APEX1
SCHEMBL9313082 0.74 MEN1 (0.37) HTR1DHTR1BRECQLTDP1APEX1
SCHEMBL9313910 0.71 MEN1 (0.48) HTR1DHTR1BRECQLTDP1APEX1
SCHEMBL9313957 0.71 MEN1 (0.34) HTR1DHTR1BRECQLTDP1APEX1
SCHEMBL1961108 0.66 SELL (0.47) RECQLTDP1APEX1BLMMEN1
SCHEMBL9313934 0.65 ESR2 (0.37) TDP1MEN1KMT2AKDM4EMAPT
SCHEMBL9313056 0.64 KDM4E (0.55) RECQLTDP1APEX1BLMMEN1
SCHEMBL29501893 0.64 KDM4E (0.55) RECQLTDP1APEX1BLMMEN1

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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