SCHEMBL8870561

SCHEMBL8870561

O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4c(c3)oc3c(CCl)cccc34)CS[C@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 7/20 0.48
▸ MAPT P10636 5/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ DUSP3 P51452 1/20 0.48
▸ PTPN5 P54829 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PLCG1 P19174 1/20 0.40
▸ CTDSP1 Q9GZU7 3/20 0.40
▸ SPOP O43791 2/20 0.39
▸ CA5A P35218 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KMT2A Q03164 3/20 0.38

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
SCHEMBL8675645 1.00 MAPK1 (0.50) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8673813 0.94 MAPK1 (0.51) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8673818 0.94 MAPK1 (0.51) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8869104 0.91 TDP1 (0.49) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8869098 0.91 TDP1 (0.49) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8669790 0.90 MAPK1 (0.39) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8869057 0.90 MAPK1 (0.39) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8869065 0.89 MAPK1 (0.54) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8675321 0.89 MAPK1 (0.54) MAPK1TDP1MAPTPOLBPKM
SCHEMBL8672882 0.89 MAPK1 (0.57) MAPK1TDP1MAPTPOLBPKM

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
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 — — US disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 — — US disclosed
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