SCHEMBL5318847

SCHEMBL5318847

CCn1nnc(C#N)c1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC9A1 P19634 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL5281984 0.86 SLC9A1 (0.34) ALDH1A1HPGDTDP1SLC9A1
SCHEMBL5276344 0.83 SLC9A1 (0.37) ALDH1A1SLC9A1
SCHEMBL5280398 0.80 SLC9A1 (0.40) ALDH1A1SLC9A1
SCHEMBL5276068 0.75 GRIA1 (0.36) ALDH1A1HPGDTDP1
SCHEMBL5277049 0.75 MAOA (0.38) ALDH1A1HPGDTDP1SLC9A1NPC1
SCHEMBL5277033 0.75 MAPT (0.31)
SCHEMBL5279312 0.75 GRM2 (0.37) ALDH1A1HPGDTDP1SLC9A1NPC1
SCHEMBL5281303 0.75 ALDH1A1 (0.33) ALDH1A1HPGDTDP1SLC9A1NPC1
SCHEMBL5277421 0.73 ALDH1A1 (0.33) ALDH1A1HPGDTDP1SLC9A1NPC1
SCHEMBL5280537 0.73 ALDH1A1 (0.35) ALDH1A1HPGDTDP1SLC9A1NPC1

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed