SCHEMBL4749922

SCHEMBL4749922

COc1nc(NC(=O)c2scc(S(=O)(=O)C(C)C)c2Cl)c(C(=O)O)n1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 6/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
PKM P14618 1/20 0.31
BLM P54132 1/20 0.31
ALK Q9UM73 4/20 0.31
ROS1 P08922 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4897212 0.91 KDM4E (0.42) KDM4EGAAPOLBNPC1RAB9A
SCHEMBL14020621 0.81 KDM4E (0.34) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL4789019 0.75 SMN1; SMN2 (0.41) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL3441528 0.72 POLB (0.47) KDM4EGAAPOLBNPC1RAB9A
SCHEMBL4788948 0.72 KMT2A (0.43) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL4891786 0.67 ALDH1A1 (0.42) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL1326886 0.67 KDM4E (0.68) KDM4EGAAPOLBNPC1RAB9A
SCHEMBL4788013 0.66 ENPP2 (0.43) MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4747643 0.66 FFAR2 (0.44) GAAMAPTLMNANPSR1SMN1; SMN2
SCHEMBL1897480 0.63 ANO1 (0.61) KDM4EGAAPOLBMAPTMAPK1

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
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed