SCHEMBL4063988

SCHEMBL4063988

Nc1ccccc1Nc1ccc(F)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
GAA P10253 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
APP P05067 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
SNCA P37840 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL3147293 0.86 MAPT (0.50) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL29414658 0.79 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3607119 0.79 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2677107 0.78 MAPT (0.71) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL4058240 0.76 MAPT (0.47) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3606443 0.76 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL29581577 0.76 ALDH1A1 (0.47) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2601575 0.74 HSD17B10 (0.46) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL3610761 0.73 MAPT (0.56) MAPTGAAALDH1A1KDM4EMEN1
SCHEMBL2506416 0.73 GAA (0.45) MAPTGAAALDH1A1KDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed