SCHEMBL4706508

SCHEMBL4706508

Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccccc2CNCC(C)C2CCCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RORC P51449 1/20 0.38
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
BRD4 O60885 10/20 0.35
BRD2 P25440 7/20 0.35
BRD3 Q15059 7/20 0.35
NR3C2 P08235 1/20 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
SCHEMBL14343958 0.84 KDM4E (0.42) KDM4EPKMPOLBEDNRBEDNRA
SCHEMBL4708275 0.84 KDM4E (0.50) KDM4EPKMPOLBTP53BRD4
SCHEMBL4201621 0.84 KDM4E (0.38) KDM4EPKMPOLBNPC1RAB9A
SCHEMBL4186012 0.84 KDM4E (0.38) KDM4EPKMPOLBNPC1RAB9A
SCHEMBL4203956 0.83 POLB (0.38) KDM4EPKMPOLBNPC1RAB9A
SCHEMBL4708923 0.79 KDM4E (0.45) KDM4EPKMPOLBMAPT
Hydrochloric Acid SCHEMBL4709828 0.75 PRF1 (0.39) POLBNPC1RAB9AMAPTTP53
SCHEMBL4709029 0.74 KDM4E (0.49) KDM4EPKMPOLBMAPTTP53
SCHEMBL4709060 0.73 KDM4E (0.42) KDM4EPKMPOLBMAPTTP53
SCHEMBL4708309 0.72 LMNA (0.41) KDM4EPKMPOLBMAPT

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