SCHEMBL8671750

SCHEMBL8671750

N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccc4c(c3)oc3cc(CCl)ccc34)CS[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SPOP O43791 7/20 0.37
▸ ALDH1A1 P00352 6/20 0.32
▸ MAPT P10636 5/20 0.32
▸ HPGD P15428 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ SLC15A2 Q16348 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CA5A P35218 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL8673308 0.87 HSD17B10 (0.39) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8673312 0.87 HSD17B10 (0.39) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8869474 0.86 KDM4E (0.36) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8670569 0.86 KDM4E (0.36) KDM4EHSD17B10TDP1TSHRSPOP
SCHEMBL8675321 0.84 MAPK1 (0.54) KDM4EHSD17B10TDP1SPOPALDH1A1
SCHEMBL8869065 0.84 MAPK1 (0.54) KDM4EHSD17B10TDP1SPOPALDH1A1
SCHEMBL8673687 0.82 HSD17B10 (0.37) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8868640 0.82 HSD17B10 (0.37) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8672280 0.82 KDM4E (0.39) KDM4EHSD17B10TDP1TSHRALDH1A1
SCHEMBL8672281 0.82 KDM4E (0.39) KDM4EHSD17B10TDP1TSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789584-A Substituted-pyridinyl cephalosporin antibiotics active against methicillin resistant bacteria MICROCIDE PHARMACEUTICALS, INC. (US) 1998-08-04 — — US disclosed
US-5756493-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1998-05-26 — — US disclosed
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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