SCHEMBL7867701

SCHEMBL7867701

Nc1nc(/C(=N/OC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(S)CS[C@@H]23)c(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ TDP1 Q9NUW8 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CTDSP1 Q9GZU7 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL7867695 1.00 NR1I2 (0.43) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6238490 0.93 TDP1 (0.51) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6238496 0.93 TDP1 (0.51) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6542342 0.90 ALDH1A1 (0.41) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6760188 0.88 NR1I2 (0.42) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6760190 0.88 NR1I2 (0.42) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6541950 0.85 ALDH1A1 (0.48) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6543035 0.84 NR1I2 (0.41) NR1I2HTR2CTDP1MAPTHSD17B10
SCHEMBL14174239 0.82 TDP1 (0.34) NR1I2HTR2CTDP1MAPTALDH1A1
SCHEMBL6243253 0.81 ALDH1A1 (0.39) NR1I2HTR2CTDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874854-B1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS INC (US) 2001-12-12 — — EP disclosed
EP-1059293-A1 Novel amino chlorothiazole compounds Microcide Pharmaceuticals, Inc. (US) 2000-12-13 — — EP disclosed
US-6087355-A A THERAPEUTIC BACTERICIDE COMPOSITION FOR TREATING A METHICILLIN-RESISTANT, VANCOMYCIN-RESISTANT, OR AMPICILLIN-RESISTANT BACTERIAL INFECTION MICROCIDE PHARMACEUTICALS, INC. (US) 2000-07-11 — — US disclosed
US-6066630-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 2000-05-23 — — US disclosed
US-6057312-A TREATING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-05-02 — — US disclosed
US-6030965-A WIDE SPECTRAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-29 — — US disclosed
US-6025352-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 2000-02-15 — — US disclosed
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