SCHEMBL3711058

SCHEMBL3711058

Cc1ccccc1-c1ccc(C(=O)NC(=N)NNC(N)=NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.53
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 3/20 0.42
KCNH2 Q12809 2/20 0.42
CCR6 P51684 2/20 0.42
POLB P06746 2/20 0.42
XBP1 P17861 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 5/20 0.41
CXCR5 P32302 1/20 0.41
APLNR P35414 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
SCHEMBL3716474 0.87 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3709712 0.85 SLC9A1 (0.56) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3719608 0.84 SLC9A1 (0.59) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3788349 0.82 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3713656 0.81 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3783985 0.81 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDLMNA
SCHEMBL3710904 0.80 SLC9A1 (0.56) SLC9A1ALDH1A1HPGDLMNAKDM4E
SCHEMBL3715078 0.80 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3713308 0.80 SLC9A1 (0.55) SLC9A1ALDH1A1HPGDLMNAMAPT
SCHEMBL3719309 0.79 SLC9A1 (0.57) SLC9A1ALDH1A1HPGDMAPTMEN1

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