SCHEMBL9868374

SCHEMBL9868374

Cc1[nH]c2cc(SC(F)(F)F)ccc2c(=O)c1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.43
▸ PTGS1 P23219 10/20 0.43
▸ PDE2A O00408 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 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
SCHEMBL9868548 0.80 SMN1; SMN2 (0.43) PTGS2PTGS1PDE2ASMN1; SMN2LMNA
SCHEMBL7159367 0.77 PTGS1 (0.46) PTGS2PTGS1KDM4E
SCHEMBL22519204 0.68 F2 (0.47) SMN1; SMN2LMNAKDM4E
SCHEMBL10481567 0.63 KDM4E (0.50) PTGS2PTGS1SMN1; SMN2LMNAKDM4E
SCHEMBL31294846 0.63 BRD4 (0.51) PDE2ASMN1; SMN2KDM4E
SCHEMBL7162608 0.62 TP53 (0.48) PTGS2PTGS1SMN1; SMN2LMNA
SCHEMBL5108776 0.60 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL25513553 0.60 KDM4E (0.44) KDM4E
SCHEMBL24616836 0.59 F2 (0.47) SMN1; SMN2LMNAKDM4E
SCHEMBL29243233 0.59 KCNK2 (0.44) PDE2ALMNAKDM4E

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-1991002724-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-03-07 — — WO disclosed
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