SCHEMBL4736374

SCHEMBL4736374

CS(=O)(=O)c1ncc2cc(-c3ccccc3Cl)c(=O)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIK2 Q9H0K1 2/20 0.45
RIPK2 O43353 3/20 0.43
NOD2 Q9HC29 3/20 0.43
NPC1 O15118 3/20 0.43
TLR9 Q9NR96 3/20 0.43
LMNA P02545 2/20 0.43
ACVR1 Q04771 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
MITF O75030 1/20 0.43
S1PR4 O95977 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MET P08581 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCD O00767 1/20 0.39

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
SCHEMBL14161489 0.89 RIPK2 (0.46) SIK2RIPK2NOD2NPC1TLR9
SCHEMBL4737631 0.88 SDHB (0.41) SIK2NPC1TLR9LMNARAB9A
SCHEMBL29536534 0.80 SIK2 (0.47) SIK2NPC1LMNAMAPTALDH1A1
SCHEMBL14370847 0.80 SIK2 (0.47) SIK2NPC1LMNAMAPTALDH1A1
SCHEMBL6341208 0.77 MAPK14 (0.49) SIK2RIPK2NOD2ACVR1MAPK14
SCHEMBL6336062 0.77 MAPK14 (0.49) SIK2RIPK2NOD2ACVR1MAPK14
SCHEMBL29545761 0.76 FGFR1 (0.37) NPC1TLR9RAB9AKMT2AMEN1
SCHEMBL20733929 0.76 FGFR1 (0.37) NPC1TLR9RAB9AKMT2AMEN1
SCHEMBL29535863 0.76 RIPK2 (0.43) SIK2RIPK2NPC1TLR9RAB9A
SCHEMBL22719106 0.76 RIPK2 (0.43) SIK2RIPK2NPC1TLR9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008078249-A1 ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2008-07-03 WO disclosed