SCHEMBL9313535

SCHEMBL9313535

N=C(N)CCc1c(O)cc(O)c(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 4/20 0.33
▸ TDP1 Q9NUW8 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RAD52 P43351 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ APEX1 P27695 2/20 0.33
▸ BLM P54132 2/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ AGO2 Q9UKV8 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ ADRA2A P08913 2/20 0.31
▸ DRD2 P14416 2/20 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
SCHEMBL9312501 0.79 HTR1D (0.44) RECQLTDP1MEN1RAD52KMT2A
SCHEMBL11054203 0.69 HDAC1 (0.43) —
SCHEMBL9312561 0.68 HTR1D (0.40) HTR1DHTR1B
SCHEMBL3962866 0.66 SELL (0.39) RECQLTDP1MEN1KMT2AAPEX1
SCHEMBL9312616 0.66 HTR3E (0.44) RECQLTDP1MEN1KMT2AAPEX1
SCHEMBL9313082 0.64 MEN1 (0.37) RECQLTDP1MEN1RAD52KMT2A
SCHEMBL4837866 0.63 DAO (0.39) RECQLTDP1APEX1KDM4EMAPT
SCHEMBL9313541 0.63 NOS2 (0.42) MAOBALDH1A1APP
Hydrochloric Acid SCHEMBL4713635 0.62 DAO (0.38) RECQLTDP1BLMKDM4EMAPT
SCHEMBL8780954 0.61 NOS1 (0.50) BLMKDM4EADRA2ASLC6A2ALDH1A1

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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