SCHEMBL3716474

SCHEMBL3716474

Cc1cccc(-c2ccc(C(=O)NC(=N)NNC(N)=NC(=O)c3ccc(-c4ccccc4C)o3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 13/20 0.55
C3AR1 Q16581 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR4 O95977 3/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3709278 0.89 SLC9A1 (0.59) SLC9A1C3AR1ALDH1A1MEN1POLB
SCHEMBL3711058 0.87 SLC9A1 (0.53) SLC9A1ALDH1A1MEN1LMNAPOLB
SCHEMBL3715078 0.86 SLC9A1 (0.55) SLC9A1ALDH1A1MEN1LMNAPOLB
SCHEMBL3719309 0.86 SLC9A1 (0.57) SLC9A1C3AR1ALDH1A1MEN1MAPT
SCHEMBL3712786 0.85 SLC9A1 (0.54) SLC9A1C3AR1S1PR4
SCHEMBL3714406 0.83 SLC9A1 (0.51) SLC9A1
SCHEMBL3711949 0.83 SLC9A1 (0.56) SLC9A1C3AR1ALDH1A1MEN1MAPT
SCHEMBL3720065 0.82 SLC9A1 (0.55) SLC9A1C3AR1ALDH1A1MEN1LMNA
SCHEMBL3713656 0.82 SLC9A1 (0.55) SLC9A1C3AR1ALDH1A1MEN1LMNA
SCHEMBL3709712 0.81 SLC9A1 (0.56) SLC9A1ALDH1A1MEN1LMNAMAPT

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