SCHEMBL7866035

SCHEMBL7866035

CCOC(=O)CCSc1snnc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MEN1 O00255 2/20 0.35
BRCA1 P38398 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL7867194 0.86 TSHR (0.43) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL8706511 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL10818255 0.69 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL970781 0.69 KDM4E (0.46) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL1001621 0.68 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL16886212 0.67 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL18862175 0.66 ALDH1A1 (0.49) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL9627261 0.66 KDM4E (0.43) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL16886213 0.66 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL1241817 0.66 ALDH1A1 (0.74) ALDH1A1KDM4ETDP1HPGDMAPT

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
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-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