SCHEMBL8633967

SCHEMBL8633967

Cc1[nH]nc(-c2ccccc2S(N)(=O)=O)c1-c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.58
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ALOX12 P18054 3/20 0.55
MAPK1 P28482 3/20 0.55
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
GPR55 Q9Y2T6 2/20 0.55
HTT P42858 2/20 0.55
GAA P10253 2/20 0.55
ALOX15 P16050 2/20 0.55
GYS1 P13807 1/20 0.55
KDM4E B2RXH2 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51

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
SCHEMBL8631098 0.84 CCNE2 (0.44) LRRK2MAPTNPSR1ALOX12MAPK1
SCHEMBL8635076 0.82 PTGS2 (0.41) LRRK2MAPTNPSR1ALOX12MAPK1
SCHEMBL8632688 0.82 GYS1 (0.58) LRRK2MAPTMAPK1MEN1KMT2A
SCHEMBL8632292 0.82 PTGS2 (0.41) LRRK2MAPTNPSR1ALOX12MAPK1
SCHEMBL8629112 0.82 PTGS1 (0.44) LRRK2MAPTNPSR1ALOX12MAPK1
SCHEMBL8631595 0.81 GYS1 (0.48) LRRK2MAPTMEN1KMT2AGPR55
SCHEMBL8635017 0.80 GYS1 (0.47) LRRK2MAPTMEN1KMT2AGPR55
SCHEMBL7780738 0.79 LRRK2 (0.60) LRRK2MAPTNPSR1ALOX12MAPK1
SCHEMBL8627791 0.77 PTGS1 (0.42) LRRK2MAPTNPSR1ALOX12MAPK1
SCHEMBL8630573 0.75 LRRK2 (0.43) LRRK2MAPTMEN1KMT2AGPR55

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed