SCHEMBL7866009

SCHEMBL7866009

CC(C)(C)OC(N)=O.CCSc1cnccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HSD17B10 Q99714 1/20 0.35
AOC3 Q16853 1/20 0.34
SLC22A12 Q96S37 6/20 0.34
ALDH1A1 P00352 2/20 0.34
AAK1 Q2M2I8 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR119 Q8TDV5 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
SIRT3 Q9NTG7 1/20 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
SCHEMBL2453029 0.80 MAPK8 (0.36) SLC22A12ALDH1A1AAK1HPGDKDM4E
SCHEMBL7866105 0.76 CA12 (0.35) CA12CA1CA2CA9CA14
SCHEMBL7866002 0.75 IDO1 (0.47) ALDH1A1HPGDKDM4EMEN1HTT
SCHEMBL27773715 0.70 CYP3A4 (0.36) SLC22A12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27667748 0.69 CYP3A4 (0.48) ALDH1A1HTTKMT2ASMN1; SMN2LMNA
SCHEMBL7865999 0.68 TRPA1 (0.43) HSD17B10AAK1KMT2ASMN1; SMN2LMNA
SCHEMBL27773814 0.68 CCNC (0.37) CA12CA1CA2CA9SLC22A12
SCHEMBL1328542 0.67 SIRT3 (0.54) CA12CA1CA2CA9CA14
SCHEMBL28519613 0.67 LTA4H (0.43) SLC22A12MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL27805296 0.67 LMNA (0.43) KDM4EKMT2ASMN1; SMN2LMNAGAA

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 10 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
US-5859256-A CHLORINATION; USEFUL AS ANTIBACTERIAL AGENTS AND IN TREATING DISEASES CAUSED BY ORGANISMS WHICH ARE RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-01-12 US disclosed
EP-0874854-A2 CEPHALOSPORIN ANTIBIOTICS Microcide Pharmaceuticals, Inc. (US) 1998-11-04 EP disclosed
WO-1997013772-A2 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-04-17 WO disclosed