SCHEMBL5227024

SCHEMBL5227024

CC(C)=C(C#N)c1ccc(C)cc1.Cc1ccc(CC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 1/20 0.34
THRB P10828 2/20 0.33
RECQL P46063 1/20 0.33
SRD5A2 P31213 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL2766983 0.86 ALDH1A1 (0.41) MAPTPOLBGAAALDH1A1KMT2A
SCHEMBL247479 0.80 CYP2A6 (0.46) MAPTL3MBTL1POLBGAAALDH1A1
SCHEMBL14216186 0.75 ALDH1A1 (0.46) MAPTGAAALDH1A1KMT2ARAB9A
SCHEMBL15494370 0.75 ALDH1A1 (0.46) MAPTGAAALDH1A1KMT2ARAB9A
SCHEMBL9925859 0.74 NAAA (0.44) MAPTL3MBTL1POLBGAAALDH1A1
SCHEMBL8993250 0.74 SRD5A2 (0.41) MAPTL3MBTL1POLBGAAALDH1A1
Toluene SCHEMBL15756043 0.72 LMNA (0.48) MAPTL3MBTL1POLBGAAALDH1A1
Toluene SCHEMBL15756051 0.72 LMNA (0.48) MAPTL3MBTL1POLBGAAALDH1A1
Toluene SCHEMBL15303842 0.72 LMNA (0.48) MAPTL3MBTL1POLBGAAALDH1A1
SCHEMBL30023174 0.71 KMT2A (0.39) MAPTL3MBTL1ALDH1A1KMT2ARAB9A

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
EP-1824952-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2007-08-29 EP disclosed
WO-2006060931-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2006-06-15 WO disclosed