SCHEMBL4707534

SCHEMBL4707534

CC(CNCc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)c(O)c1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.40
BRAF P15056 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
CCR2 P41597 2/20 0.39
ALDH1A1 P00352 6/20 0.39
BRD4 O60885 2/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
PGAM1 P18669 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4707499 0.84 PKM (0.48) PKMKDM4EMEN1KMT2AALDH1A1
SCHEMBL4707955 0.84 PKM (0.53) PKMKDM4ENPC1MEN1KMT2A
SCHEMBL4189973 0.84 PKM (0.42) PKMKDM4ENPC1MEN1BRAF
SCHEMBL4706182 0.81 NPC1 (0.47) PKMNPC1MEN1BRAFKMT2A
SCHEMBL4707576 0.80 NPC1 (0.45) PKMKDM4ENPC1MEN1KMT2A
SCHEMBL4708756 0.80 KDM4E (0.41) PKMKDM4ENPC1MEN1KMT2A
SCHEMBL4708604 0.78 ALDH1A1 (0.42) PKMKDM4ENPC1ALDH1A1MCOLN3
SCHEMBL4707040 0.78 KDM4E (0.44) PKMKDM4EMEN1KMT2ACCR2
SCHEMBL4708104 0.78 PKM (0.56) PKMKDM4EMEN1KMT2AALDH1A1
SCHEMBL4709526 0.76 KDM4E (0.54) PKMKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed