SCHEMBL8631355

SCHEMBL8631355

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAP2K4 P45985 3/20 0.43
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GYS1 P13807 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LRRK2 Q5S007 1/20 0.40
HSD11B1 P28845 1/20 0.40
MAP2K7 O14733 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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 0.92 L3MBTL1 (0.51) L3MBTL1KDM4ERXFP1GYS1MAPT
SCHEMBL8633591 0.89 L3MBTL1 (0.43) L3MBTL1KDM4ERXFP1MAPTMEN1
SCHEMBL8635392 0.89 L3MBTL1 (0.49) L3MBTL1KDM4EMAPTPOLBKMT2A
SCHEMBL8632682 0.89 KDM1A (0.46) L3MBTL1KDM4ERXFP1GYS1MAPT
SCHEMBL8629853 0.89 MEN1 (0.45) L3MBTL1KDM4EMAPTMEN1KMT2A
SCHEMBL8628831 0.88 LRRK2 (0.50) L3MBTL1KDM4ERXFP1GYS1MAPT
SCHEMBL8634943 0.87 MAP2K4 (0.44) L3MBTL1MAP2K4MAPK14MEN1KMT2A
SCHEMBL8631696 0.86 SLC40A1 (0.42) L3MBTL1MAPTLRRK2EDNRBEDNRA
SCHEMBL8627990 0.86 HPGD (0.41) L3MBTL1MAPTMEN1POLBKMT2A
SCHEMBL8633701 0.86 KMT2A (0.48) L3MBTL1KDM4EMAPTMEN1POLB

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