SCHEMBL5286760

SCHEMBL5286760

CC(C)c1nnn(C(C)C)c1C#N

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5276801 0.78 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL5279385 0.78 CYP1A2 (0.33) ALDH1A1POLBSMN1; SMN2
SCHEMBL5280896 0.78 TDP1 (0.32) ALDH1A1POLBSMN1; SMN2
SCHEMBL5281703 0.78 LMNA (0.31)
SCHEMBL5278417 0.76
SCHEMBL5280380 0.76 TOP2A (0.31)
SCHEMBL5278006 0.76
SCHEMBL5277231 0.73 SLC9A1 (0.31)
SCHEMBL5277968 0.73
SCHEMBL5277082 0.73

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