SCHEMBL8629976

SCHEMBL8629976

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
LRRK2 Q5S007 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.42
NR2F2 P24468 1/20 0.42
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
GYS1 P13807 1/20 0.42
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8631355 0.92 L3MBTL1 (0.44) L3MBTL1EDNRBEDNRALRRK2MEN1
SCHEMBL8628831 0.92 LRRK2 (0.50) L3MBTL1EDNRBEDNRALRRK2MEN1
SCHEMBL8633591 0.91 L3MBTL1 (0.43) L3MBTL1EDNRBEDNRALRRK2MEN1
SCHEMBL8635392 0.91 L3MBTL1 (0.49) L3MBTL1EDNRBEDNRALRRK2KMT2A
SCHEMBL8632682 0.91 KDM1A (0.46) L3MBTL1EDNRBEDNRALRRK2MEN1
SCHEMBL8629853 0.91 MEN1 (0.45) L3MBTL1LRRK2MEN1KMT2AMAPT
SCHEMBL8631372 0.89 KMT2A (0.42) L3MBTL1LRRK2MEN1KMT2AALDH1A1
SCHEMBL8634943 0.89 MAP2K4 (0.44) L3MBTL1LRRK2MEN1KMT2ASLC40A1
SCHEMBL8634847 0.88 NAT1 (0.46) L3MBTL1LRRK2MEN1KMT2AMAPT
SCHEMBL8630886 0.88 MCL1 (0.45) L3MBTL1LRRK2MEN1KMT2AALDH1A1

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