SCHEMBL6762398

SCHEMBL6762398

ClCc1ncccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
KIF11 P52732 3/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL6238911 0.98 SIRT2 (0.35) SIRT2KIF11CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6239812 0.97 SIRT2 (0.34) SIRT2KIF11CHRM2CHRM4CHRM5
SCHEMBL6238584 0.84 ALDH1A1 (0.44) SIRT2KIF11CHRM2CHRM4CHRM5
SCHEMBL3068375 0.81 AOC3 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6233939 0.77 KIF11 (0.44) KIF11
SCHEMBL27491202 0.72 HSD17B10 (0.53) KDM4EKMT2APKMALDH1A1L3MBTL1
SCHEMBL3079212 0.65 ALDH1A1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3081194 0.65 AOC3 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30821022 0.64 KIF11 (0.38) KIF11KDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL1567556 0.64 KMT2A (0.50) KIF11KDM4EKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222194-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2002-07-17 EP claimed
WO-2001021623-A1 7-ACYLAMINO-3-HETEROARYLTHIO-3-CEPHEM CARBOXYLIC ACID ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2001-03-29 WO claimed
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