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SCHEMBL3783985

SCHEMBL3783985

CCc1ccccc1-c1ccc(C(=O)NC(=N)NNC(N)=NC(=O)c2ccc(-c3ccc(N)cc3)o2)o1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 15/20 0.55
▸ NQO2 P16083 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ S1PR4 O95977 1/20 0.36

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
SCHEMBL3711058 0.81 SLC9A1 (0.53) SLC9A1ALDH1A1LMNAHPGD
SCHEMBL3709712 0.81 SLC9A1 (0.56) SLC9A1ALDH1A1LMNAHPGD
SCHEMBL3714406 0.80 SLC9A1 (0.51) SLC9A1
SCHEMBL3710904 0.80 SLC9A1 (0.56) SLC9A1NQO2ALDH1A1LMNAHPGD
SCHEMBL3788349 0.79 SLC9A1 (0.55) SLC9A1NQO2ALDH1A1LMNAHPGD
SCHEMBL3720051 0.79 SLC9A1 (0.48) SLC9A1NQO2ALDH1A1LMNA
SCHEMBL3707944 0.78 SLC9A1 (0.52) SLC9A1ALDH1A1LMNAHPGD
SCHEMBL3716474 0.77 SLC9A1 (0.55) SLC9A1ALDH1A1LMNAHPGDS1PR4
SCHEMBL3709278 0.76 SLC9A1 (0.59) SLC9A1NQO2ALDH1A1HPGD
SCHEMBL3711949 0.76 SLC9A1 (0.56) 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