SCHEMBL8635286

SCHEMBL8635286

O=S(=O)(Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 1/20 0.44
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
S100A9 P06702 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL8628709 0.89 ERBB2 (0.40) KDM4ERXFP1NPSR1MEN1KMT2A
SCHEMBL8629094 0.89 ERBB2 (0.40) KDM4ERXFP1NPSR1MEN1KMT2A
SCHEMBL8630116 0.86 MAPT (0.39) KDM4ERXFP1NPSR1MEN1KMT2A
SCHEMBL8629976 0.84 L3MBTL1 (0.51) KDM4ERXFP1NPSR1MEN1KMT2A
SCHEMBL8632682 0.83 KDM1A (0.46) NAT1KDM4ERXFP1NPSR1MEN1
SCHEMBL8631571 0.83 KMO (0.47) KDM4ERXFP1NPSR1MEN1KMT2A
SCHEMBL8634847 0.81 NAT1 (0.46) NAT1MEN1KMT2AL3MBTL1LMNA
SCHEMBL8759028 0.80 PKM (0.39) MEN1KMT2ATDP1GAAL3MBTL1
SCHEMBL8633920 0.80 FFAR4 (0.44) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL8628831 0.80 LRRK2 (0.50) KDM4ERXFP1NPSR1MEN1KMT2A

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