SCHEMBL8631372

SCHEMBL8631372

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1cccnc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
IDH2 P48735 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CA P42336 2/20 0.41
LRRK2 Q5S007 1/20 0.41
CKS1B P61024 2/20 0.40
SKP2 Q13309 2/20 0.40
USP2 O75604 1/20 0.40
USP8 P40818 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC4 P56524 1/20 0.39
MEN1 O00255 1/20 0.39
MAP2K4 P45985 2/20 0.39
MAP2K7 O14733 1/20 0.39
KDR P35968 1/20 0.39
GSK3B P49841 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL8758930 0.93 CYP2A6 (0.42) KMT2ATSHRIDH2PIK3CALRRK2
SCHEMBL8629976 0.89 L3MBTL1 (0.51) KMT2AL3MBTL1LRRK2ALDH1A1MEN1
SCHEMBL8628831 0.87 LRRK2 (0.50) KMT2AIDH2L3MBTL1PIK3CALRRK2
SCHEMBL8631355 0.82 L3MBTL1 (0.44) KMT2AL3MBTL1LRRK2HDAC4MEN1
SCHEMBL8634943 0.82 MAP2K4 (0.44) KMT2AIDH2L3MBTL1PIK3CALRRK2
SCHEMBL8632682 0.81 KDM1A (0.46) KMT2AL3MBTL1LRRK2ALDH1A1HDAC4
SCHEMBL8629853 0.81 MEN1 (0.45) KMT2AL3MBTL1LRRK2USP2USP8
SCHEMBL8633591 0.81 L3MBTL1 (0.43) KMT2ATSHRL3MBTL1LRRK2USP2
SCHEMBL8635392 0.81 L3MBTL1 (0.49) KMT2ATSHRL3MBTL1LRRK2ALDH1A1
SCHEMBL8630886 0.81 MCL1 (0.45) KMT2ATSHRL3MBTL1LRRK2ALDH1A1

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