SCHEMBL6233930

SCHEMBL6233930

OCc1ccncc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
APOBEC3G Q9HC16 1/20 0.38
SLC22A12 Q96S37 8/20 0.38
KCNA5 P22460 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.33

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
SCHEMBL7557262 0.92 KIF11 (0.35) KIF11APOBEC3GSLC22A12KCNA5CYP1A2
SCHEMBL864206 0.80 APOBEC3G (0.55) KIF11APOBEC3G
SCHEMBL6238584 0.70 ALDH1A1 (0.44) KIF11APOBEC3GCYP1A2CYP3A4CYP2C9
SCHEMBL1769946 0.67 CYP11B2 (0.53) SLC22A12KCNA5CYP1A2CYP3A4CYP2C9
SCHEMBL3078934 0.67 SLC22A12 (0.43) SLC22A12
SCHEMBL7557430 0.66 KCNA5 (0.42) KIF11KCNA5CYP1A2CYP3A4CYP2C9
SCHEMBL29900474 0.65 AOC1 (0.43) GAA
SCHEMBL6249306 0.65 AOC1 (0.43) GAA
SCHEMBL5109030 0.65 CYP11B1 (0.47)
SCHEMBL5110350 0.65 CYP11B1 (0.47)

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-1222194-B1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF TRINE PHARMACEUTICALS INC (US) 2005-06-15 EP disclosed
US-6723716-B1 BACTERICIDE FOR STAPHYLOCOCCUS ESSENTIAL THERAPEUTICS, INC. 2004-04-20 US disclosed
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP disclosed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 WO 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