SCHEMBL8631571

SCHEMBL8631571

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
GYS1 P13807 1/20 0.45
CHUK O15111 1/20 0.43
PSD A5PKW4 2/20 0.41
PTGES2 Q9H7Z7 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PFKFB3 Q16875 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
S100A9 P06702 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIK3C2B O00750 1/20 0.39
PIK3C2G O75747 1/20 0.39
MAP2K4 P45985 1/20 0.38
LRRK2 Q5S007 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8628728 0.88 CCR2 (0.39) KMOGYS1CHUKMEN1KMT2A
SCHEMBL8632682 0.87 KDM1A (0.46) GYS1MEN1KMT2AKDM4ENPSR1
SCHEMBL8634847 0.87 NAT1 (0.46) MEN1KMT2ALRRK2L3MBTL1
SCHEMBL8629976 0.86 L3MBTL1 (0.51) GYS1MEN1KMT2AKDM4ENPSR1
SCHEMBL8630483 0.85 KMT2A (0.42) KMOMEN1KMT2ATDP1KDM4E
SCHEMBL8634594 0.84 FFAR4 (0.39) MEN1KMT2ATDP1LRRK2L3MBTL1
SCHEMBL8631355 0.84 L3MBTL1 (0.44) GYS1MEN1KMT2AKDM4ENPSR1
SCHEMBL8628709 0.83 ERBB2 (0.40) PTGES2MEN1KMT2ATDP1S100A9
SCHEMBL8634943 0.83 MAP2K4 (0.44) MEN1KMT2AMAP2K4LRRK2L3MBTL1
SCHEMBL8759028 0.83 PKM (0.39) KMOCHUKPTGES2MEN1KMT2A

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