SCHEMBL3788349

SCHEMBL3788349

Cc1ccc(-c2ccc(C(=O)N=C(N)NNC(=N)NC(=O)c3ccc(-c4ccccc4C(F)(F)F)o3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 6/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.43
NQO2 P16083 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
SCHEMBL3712980 0.87 SLC9A1 (0.56) SLC9A1SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL3707944 0.83 SLC9A1 (0.52) SLC9A1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3709278 0.82 SLC9A1 (0.59) SLC9A1ALDH1A1POLBGAAMAPT
SCHEMBL3711058 0.82 SLC9A1 (0.53) SLC9A1SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL3710904 0.80 SLC9A1 (0.56) SLC9A1LMNAALDH1A1HPGDKDM4E
SCHEMBL3709712 0.79 SLC9A1 (0.56) SLC9A1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL3716474 0.79 SLC9A1 (0.55) SLC9A1LMNAALDH1A1POLBMAPT
SCHEMBL3783985 0.79 SLC9A1 (0.55) SLC9A1LMNAALDH1A1HPGDNQO2
SCHEMBL3795202 0.78 SLC9A1 (0.61) SLC9A1SMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL3719309 0.77 SLC9A1 (0.57) SLC9A1ALDH1A1MAPTHPGDKDM4E

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