SCHEMBL28538869

SCHEMBL28538869

COc1ccc(-n2c(-c3ccncc3)n[nH]c2=S)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.77
HTT P42858 1/20 0.77
CUL4A Q13619 1/20 0.77
TDP1 Q9NUW8 2/20 0.76
ALDH1A1 P00352 6/20 0.67
POLB P06746 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA12 O43570 1/20 0.65
CA9 Q16790 1/20 0.65
KDM4E B2RXH2 4/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
RECQL P46063 1/20 0.64
MAPK8 P45983 1/20 0.64
MAPK9 P45984 1/20 0.64
MAPK10 P53779 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
HSD17B10 Q99714 2/20 0.59

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
SCHEMBL7691829 0.91 HPGD (0.91) HPGDHTTCUL4ATDP1ALDH1A1
SCHEMBL8978622 0.84 HPGD (0.79) HPGDHTTCUL4AALDH1A1CA1
SCHEMBL28543630 0.84 KDM4E (0.79) HPGDHTTCUL4ATDP1ALDH1A1
SCHEMBL15452371 0.82 TDP1 (0.76) HPGDHTTTDP1ALDH1A1POLB
SCHEMBL13729062 0.82 TDP1 (0.75) HPGDHTTTDP1ALDH1A1POLB
SCHEMBL28537279 0.79 KDM4E (1.00) HPGDHTTCUL4ATDP1ALDH1A1
SCHEMBL7686805 0.77 CHRNE (0.73) HPGDHTTCUL4AALDH1A1POLB
SCHEMBL28911095 0.77 KDM4E (0.71) HPGDHTTCUL4ATDP1ALDH1A1
SCHEMBL11920079 0.75 OXTR (0.52) HPGDHTTCUL4AL3MBTL1CYP3A4
SCHEMBL8931026 0.75 KDM4E (0.85) HPGDHTTCUL4AALDH1A1KDM4E

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
CN-112358466-B 1,2, 4-triazole-norfloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-10-26 CN disclosed
CN-112358466-A 1,2, 4-triazole-norfloxacin heterozygote and preparation method and application thereof 广东省微生物研究所(广东省微生物分析检测中心) 2021-02-12 CN disclosed