SCHEMBL8628709

SCHEMBL8628709

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1cc(Cl)ccc1Cl)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
S100A9 P06702 1/20 0.39
FBP1 P09467 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3C2G O75747 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
PGR P06401 2/20 0.37

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
SCHEMBL8629094 0.91 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL8759028 0.90 PKM (0.39) MEN1KMT2ATDP1PTGES2ALDH1A1
SCHEMBL8635286 0.89 NAT1 (0.44) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL8632682 0.84 KDM1A (0.46) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL8634847 0.83 NAT1 (0.46) MEN1KMT2ALMNAPGRMAPT
SCHEMBL8631571 0.83 KMO (0.47) MEN1KMT2ATDP1PTGES2S100A9
SCHEMBL8629976 0.80 L3MBTL1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8630116 0.80 MAPT (0.39) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL8633920 0.78 FFAR4 (0.44) MEN1KMT2ATDP1ALDH1A1SMN1; SMN2
SCHEMBL8630483 0.78 KMT2A (0.42) MEN1KMT2ATDP1SMN1; SMN2LMNA

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