SCHEMBL4550310

SCHEMBL4550310

NCc1cnc(OCC(F)(F)F)c(CI)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LOX P28300 1/20 0.34
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30

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
SCHEMBL4550333 0.85 PTGS2 (0.38) LOXL2ALDH1A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL2715765 0.84 PTGS2 (0.37) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2714225 0.80 AAK1 (0.38) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL4550308 0.80 LOXL2 (0.38) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL10290355 0.79
SCHEMBL4550344 0.78 LOXL2 (0.37) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2716622 0.78 SMN1; SMN2 (0.39) LOXL2ALDH1A1MAPTKDM4EMEN1
Hydrochloric Acid SCHEMBL2717257 0.78 LOXL2 (0.39) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL4550349 0.78 LOXL2 (0.37) LOXL2ALDH1A1MAPTKDM4EMEN1
SCHEMBL4550332 0.78 LOXL2 (0.37) LOXL2ALDH1A1MAPTKDM4EMEN1

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
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed