SCHEMBL8869104

SCHEMBL8869104

O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4c(c3)oc3c(CCl)cccc34)CS[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.49
▸ MAPT P10636 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ NR1I2 O75469 4/20 0.49
▸ SLC22A6 Q4U2R8 2/20 0.49
▸ SLC22A8 Q8TCC7 2/20 0.49
▸ SLC22A11 Q9NSA0 2/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ NAPEPLD Q6IQ20 1/20 0.45
▸ HSD17B10 Q99714 5/20 0.43
▸ CYP3A4 P08684 3/20 0.43

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
SCHEMBL8869098 1.00 TDP1 (0.49) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8870561 0.91 MAPK1 (0.50) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8675645 0.91 MAPK1 (0.50) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8672444 0.89 TDP1 (0.54) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8672442 0.89 TDP1 (0.54) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8669790 0.88 MAPK1 (0.39) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8869057 0.88 MAPK1 (0.39) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8673818 0.85 MAPK1 (0.51) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8673813 0.85 MAPK1 (0.51) TDP1MAPTHPGDNR1I2SLC22A6
SCHEMBL8869474 0.83 KDM4E (0.36) TDP1MAPTHPGDNR1I2CTDSP1

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-5698547-A 7-(ACYLAMINO)-3-(ARYLTHIO)-3-CEPHEM-4-CARBOXYLIC ACIDS WHICH EXHIBIT ANTIBACTERIAL ACTIVITY AGAINST ORGANISMS RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-12-16 — — US disclosed
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 — — US disclosed
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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