SCHEMBL3707944

SCHEMBL3707944

COc1ccccc1-c1ccc(C(=O)NC(=N)NNC(N)=NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 14/20 0.52
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 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
SCHEMBL3711949 0.85 SLC9A1 (0.56) SLC9A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3795202 0.84 SLC9A1 (0.61) SLC9A1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3788349 0.83 SLC9A1 (0.55) SLC9A1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL3710904 0.81 SLC9A1 (0.56) SLC9A1KDM4ELMNAALDH1A1HPGD
SCHEMBL3722093 0.80 SLC9A1 (0.54) SLC9A1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL3712980 0.80 SLC9A1 (0.56) SLC9A1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL3717422 0.79 SLC9A1 (0.48) SLC9A1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3711058 0.79 SLC9A1 (0.53) SLC9A1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL3709712 0.78 SLC9A1 (0.56) SLC9A1KDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL3786003 0.78 SLC9A1 (0.57) SLC9A1ALDH1A1HPGD

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
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO claimed
WO-2010094090-A2 SYNUCLEINOPATHIES KATHOLLEKE UNIVERSITEIT LEUVEN (BE) 2010-08-26 WO disclosed