SCHEMBL8634847

SCHEMBL8634847

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 1/20 0.46
PGR P06401 2/20 0.45
KDM1A O60341 4/20 0.44
MAOA P21397 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDH2 P48735 1/20 0.41
KAT6A Q92794 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LRRK2 Q5S007 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39

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
SCHEMBL8629976 0.88 L3MBTL1 (0.51) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL8634943 0.88 MAP2K4 (0.44) PGRMEN1KMT2AIDH2KAT6A
SCHEMBL8632682 0.87 KDM1A (0.46) NAT1KDM1ALMNAMAPTMEN1
SCHEMBL8631571 0.87 KMO (0.47) MEN1KMT2AL3MBTL1LRRK2
SCHEMBL8630886 0.87 MCL1 (0.45) MEN1KMT2AL3MBTL1LRRK2HDAC4
SCHEMBL8628709 0.83 ERBB2 (0.40) PGRLMNAMAPTMEN1KMT2A
SCHEMBL8629094 0.83 ERBB2 (0.40) PGRLMNAMAPTMEN1KMT2A
SCHEMBL8634594 0.82 FFAR4 (0.39) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL8628831 0.81 LRRK2 (0.50) LMNAMAPTMEN1KMT2AIDH2
SCHEMBL8631355 0.81 L3MBTL1 (0.44) MAPTMEN1KMT2AL3MBTL1LRRK2

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