SCHEMBL5282456

SCHEMBL5282456

CCCCCCn1nnc(CCC)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.41
CYP19A1 P11511 6/20 0.34
HCAR3 P49019 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAOB P27338 1/20 0.31
GRM2 Q14416 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5275209 0.94 SLC9A1 (0.41) SLC9A1CYP19A1HCAR3MAPTMAPK1
SCHEMBL5279686 0.94 SLC9A1 (0.38) SLC9A1CYP19A1HCAR3MAPK1RECQL
SCHEMBL5274744 0.89 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPTALDH1A1
SCHEMBL5274107 0.87 SLC9A1 (0.38) SLC9A1CYP19A1HCAR3MAPTMAPK1
SCHEMBL5276840 0.87 SLC9A1 (0.35) SLC9A1CYP19A1MAPTMAPK1RECQL
SCHEMBL5285349 0.84 ALDH1A1 (0.36) SLC9A1CYP19A1MAPTMAPK1ALDH1A1
SCHEMBL5283437 0.84 SLC9A1 (0.38) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5279878 0.84 SLC9A1 (0.38) SLC9A1HCAR3MAPT
SCHEMBL5280521 0.82 SLC9A1 (0.39) SLC9A1HCAR3MAOBGRM2
SCHEMBL5284267 0.82 MAOA (0.36) SLC9A1CYP19A1MAPTMAPK1RECQL

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