SCHEMBL9279585

SCHEMBL9279585

CC(=O)c1cc(SCCN2CCOCC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ THRB P10828 3/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL22589668 0.79 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL8312407 0.69 KDM4E (0.62) KDM4EALDH1A1THRBHSD17B10PKM
SCHEMBL8914577 0.69 KDM4E (0.45) KDM4EALDH1A1PKMHTTHPGD
SCHEMBL11396941 0.69 THRB (0.48) KDM4EALDH1A1THRBHSD17B10HTT
SCHEMBL11274181 0.69 FGFR1 (0.52) KDM4EALDH1A1THRBHSD17B10HPGD
SCHEMBL11478965 0.68 POLB (0.56) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11529719 0.68 POLB (0.78) KDM4ELMNAKMT2APOLBRAB9A
SCHEMBL11537579 0.68 SIGMAR1 (0.59) KDM4EALDH1A1THRBHPGDNPSR1
SCHEMBL11539203 0.68 MEN1 (0.66) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL8915212 0.68 KDM4E (0.43) KDM4EALDH1A1HTTHPGDLMNA

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-0706387-A1 NEW PROCEDURE TO BLOCK THE REPLICATION OF REVERSE TRANSCRIPTASE DEPENDENT VIRUSES BY THE USE OF INHIBITORS OF DEOXYNUCLEOTIDES SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-04-17 — — EP disclosed
WO-1994027590-A1 NEW PROCEDURE TO BLOCK THE REPLICATION OF REVERSE TRANSCRIPTASE DEPENDENT VIRUSES BY THE USE OF INHIBITORS OF DEOXYNUCLEOTIDES SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-12-08 — — WO disclosed
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