SCHEMBL7159367

SCHEMBL7159367

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.46
▸ PTGS2 P35354 7/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ CCNB2 O95067 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ DAO P14920 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL10481523 0.78 KDM4E (0.52) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL9868374 0.77 PTGS2 (0.43) PTGS1PTGS2KDM4E
SCHEMBL6225217 0.75 LMNA (0.51) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6224556 0.73 MEN1 (0.43) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6229784 0.73 MEN1 (0.43) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6227910 0.73 MEN1 (0.43) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL28300274 0.72 CCNB2 (0.46) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL19481419 0.72 AHR (0.52) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL870205 0.72 KDM4E (0.65) MEN1KMT2AKDM4EPARP1CDK2
SCHEMBL10997819 0.71 CDK2 (0.40) MEN1KMT2AKDM4EPARP1CCNB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002522388-A — — 2002-07-23 — — JP claimed
EP-1107759-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Basf Corporation (US) 2001-06-20 — — EP claimed
WO-2000007595-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION BASF CORPORATION (US) 2000-02-17 — — WO claimed
EP-1355647-A2 THE TREATMENT OF SEXUAL DYSFUNCTION AND CARDIOVASCULAR DISEASE WITH QUINOLINONE ENANTIOMERS R.T. Alamo Ventures I, LLC (US) 2003-10-29 — — EP disclosed
WO-2002058703-A2 THE TREATMENT OF SEXUAL DYSFUNCTION AND CARDIOVASCULAR DISEASE WITH QUINOLINONE ENANTIOMERS R.T. ALAMO VENTURES I, LLC (US) 2002-08-01 — — WO disclosed
EP-1107759-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Basf Corporation (US) 2001-06-20 — — EP disclosed
WO-2000007595-A1 PYRIDINONES FOR THE TREATMENT OF SEXUAL DYSFUNCTION BASF CORPORATION (US) 2000-02-17 — — WO disclosed
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