SCHEMBL8628831

SCHEMBL8628831

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccncc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.50
IMPDH2 P12268 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
HSD11B1 P28845 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
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
IDH2 P48735 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC40A1 Q9NP59 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL8629976 0.92 L3MBTL1 (0.51) LRRK2L3MBTL1EDNRBEDNRAHSD11B1
SCHEMBL8631355 0.88 L3MBTL1 (0.44) LRRK2L3MBTL1EDNRBEDNRAHSD11B1
SCHEMBL8631372 0.87 KMT2A (0.42) LRRK2L3MBTL1PIK3CAIDH2SLC40A1
SCHEMBL8635392 0.87 L3MBTL1 (0.49) LRRK2L3MBTL1EDNRBEDNRAHSD11B1
SCHEMBL8629853 0.87 MEN1 (0.45) LRRK2L3MBTL1HSD11B1LMNAMEN1
SCHEMBL8632682 0.87 KDM1A (0.46) LRRK2L3MBTL1EDNRBEDNRALMNA
SCHEMBL8633591 0.87 L3MBTL1 (0.43) LRRK2L3MBTL1EDNRBEDNRAHSD11B1
SCHEMBL8633701 0.84 KMT2A (0.48) L3MBTL1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8627990 0.84 HPGD (0.41) LRRK2L3MBTL1EDNRBEDNRAHSD11B1
SCHEMBL8631696 0.84 SLC40A1 (0.42) LRRK2L3MBTL1EDNRBEDNRASLC40A1

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