SCHEMBL8628009

SCHEMBL8628009

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(C)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
F10 P00742 4/20 0.37
LRRK2 Q5S007 1/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 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
SCHEMBL8632316 0.91 PTGS1 (0.40) PTGS2PTGS1F10CA2CA9
SCHEMBL8635575 0.88 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2CA2CA9
SCHEMBL8630040 0.86 POLB (0.36) PTGS2F10LRRK2CA2CA9
SCHEMBL8633695 0.86 F10 (0.39) PTGS2PTGS1F10LRRK2CA2
SCHEMBL8630025 0.85 PTGS2 (0.58) PTGS2PTGS1LMNAF10CA2
SCHEMBL8632173 0.85 F10 (0.36) PTGS2PTGS1F10LRRK2CA2
SCHEMBL8629841 0.85 PTGS2 (0.39) PTGS2PTGS1F10LRRK2CA2
SCHEMBL8631591 0.85 PTGS2 (0.41) PTGS2SMN1; SMN2F10CA2CA9
SCHEMBL8629349 0.84 PTGS2 (0.48) PTGS2PTGS1LMNAF10LRRK2
SCHEMBL8630470 0.81 PTGS2 (0.49) PTGS2PTGS1F10ALDH1A1

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