SCHEMBL4789752

SCHEMBL4789752

CN(c1ccccc1)S(=O)(=O)c1ccc2ncsc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
MAPK1 P28482 2/20 0.65
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31119754 0.83 IKBKB (0.56) MAPTMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12157404 0.75 ALDH1A1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3756445 0.74 KDM4E (0.45) MAPTMAPK1L3MBTL1ALDH1A1KDM4E
SCHEMBL5375181 0.73 MAPT (0.46) MAPTMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1144922 0.71 NPC1 (0.53) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL742714 0.71 ALDH1A1 (0.50) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4238576 0.71 RXFP1 (0.60) CA12CA9L3MBTL1ALDH1A1MEN1
SCHEMBL22955425 0.71 RIPK1 (0.62) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22952463 0.71 ALDH1A1 (0.50) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13211046 0.71 ALDH1A1 (0.60) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A

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