SCHEMBL5285349

SCHEMBL5285349

CCCCc1nnn(CCC)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAOB P27338 1/20 0.35
SLC9A1 P19634 5/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ATM Q13315 1/20 0.31
CYP17A1 P05093 1/20 0.31
GRM2 Q14416 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP19A1 P11511 3/20 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
SCHEMBL5274107 0.93 SLC9A1 (0.38) ALDH1A1L3MBTL1MAOBSLC9A1MAPK1
SCHEMBL5275209 0.90 SLC9A1 (0.41) ALDH1A1L3MBTL1MAOBSLC9A1MAPK1
SCHEMBL5276840 0.90 SLC9A1 (0.35) ALDH1A1SLC9A1MAPK1KDM4EGRM2
SCHEMBL5280494 0.88 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAOBMAPK1HTT
SCHEMBL5279686 0.87 SLC9A1 (0.38) ALDH1A1L3MBTL1MAOBSLC9A1MAPK1
SCHEMBL5278441 0.84 SLC9A1 (0.36) ALDH1A1SLC9A1CYP17A1GRM2
SCHEMBL5282456 0.84 SLC9A1 (0.41) ALDH1A1MAOBSLC9A1MAPK1GRM2
SCHEMBL5289063 0.83 MAOB (0.42) ALDH1A1L3MBTL1MAOBMAPK1HTT
SCHEMBL5280521 0.81 SLC9A1 (0.39) MAOBSLC9A1KMT2AMEN1GRM2
SCHEMBL5278277 0.79 SLC9A1 (0.33) SLC9A1

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