SCHEMBL3713656

SCHEMBL3713656

N=C(NNC(N)=NC(=O)c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.55
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
S1PR4 O95977 1/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP3 P42574 2/20 0.42
KMT2A Q03164 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
C3AR1 Q16581 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3709712 0.92 SLC9A1 (0.56) SLC9A1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3719608 0.89 SLC9A1 (0.59) SLC9A1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3713308 0.88 SLC9A1 (0.55) SLC9A1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3711321 0.86 SLC9A1 (0.55) SLC9A1SMN1; SMN2ALDH1A1S1PR4
SCHEMBL3714406 0.83 SLC9A1 (0.51) SLC9A1
SCHEMBL3720065 0.82 SLC9A1 (0.55) SLC9A1SMN1; SMN2ALDH1A1HPGDNPC1
SCHEMBL3716474 0.82 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDS1PR4MEN1
SCHEMBL3711058 0.81 SLC9A1 (0.53) SLC9A1SMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL3711949 0.81 SLC9A1 (0.56) SLC9A1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3712980 0.80 SLC9A1 (0.56) SLC9A1SMN1; SMN2ALDH1A1HPGDMEN1

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