SCHEMBL4638358

SCHEMBL4638358

CCS(=O)(=O)c1ccc(F)c(Cl)c1.Fc1ccc(S)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
AGTR1 P30556 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
SOS1 Q07889 2/20 0.40
PTGS1 P23219 2/20 0.39
GABRA2 P47869 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL585199 0.90 PTGS2 (0.49) PTGS2MEN1KMT2ATP53AGTR1
SCHEMBL416071 0.77
SCHEMBL2393378 0.76 GAA (0.42) PTGDR2ALDH1A1
SCHEMBL806970 0.74 GAA (0.47) PTGS2KMT2APTGDR2SOS1PSEN1
SCHEMBL13601374 0.74 MAPK1 (0.48) MEN1KMT2APTGDR2ALDH1A1
SCHEMBL708295 0.73 GAA (0.42) MEN1KMT2APTGDR2ALDH1A1
SCHEMBL29678127 0.73 GAA (0.42) MEN1KMT2APTGDR2ALDH1A1
Silver SCHEMBL6115022 0.72 SOS1 (0.49) PTGS2MEN1KMT2ATP53AGTR1
SCHEMBL585689 0.72 PTGS2 (0.65) PTGS2MEN1KMT2ATP53AGTR1
SCHEMBL1251768 0.71 PSIP1 (0.58) PTGS2MEN1KMT2AALDH1A1

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
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed