SCHEMBL13515693

SCHEMBL13515693

CSCCCNC(=O)/C(C#N)=C/C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 4/20 0.43
KDR P35968 1/20 0.43
MCL1 Q07820 1/20 0.41
LMNA P02545 7/20 0.41
EGFR P00533 6/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 3/20 0.41
ALOX12 P18054 3/20 0.41
MAPK1 P28482 3/20 0.41
RECQL P46063 3/20 0.41
BLM P54132 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 3/20 0.41

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
SCHEMBL2806471 0.80 LMNA (0.40) SMN1; SMN2MAPTKDRMCL1LMNA
SCHEMBL2806467 0.80 LMNA (0.40) SMN1; SMN2MAPTKDRMCL1LMNA
SCHEMBL14017690 0.78 MCL1 (0.44) SMN1; SMN2MAPTMCL1LMNAHPGD
Malonic Acid SCHEMBL2415013 0.77 LMNA (0.39) SMN1; SMN2MAPTKDRMCL1LMNA
SCHEMBL13515708 0.76 MEN1 (0.42) SMN1; SMN2MAPTLMNAHPGDKDM4E
SCHEMBL12496025 0.76 LMNA (0.37) SMN1; SMN2MAPTKDRMCL1LMNA
SCHEMBL1576555 0.76 LMNA (0.37) SMN1; SMN2MAPTKDRMCL1LMNA
SCHEMBL17368887 0.72 HDAC1 (0.46) SMN1; SMN2MAPTLMNAEGFRKDM4E
SCHEMBL15341665 0.72 NAAA (0.63) SMN1; SMN2LMNAHPGDALDH1A1KMT2A
SCHEMBL2807525 0.71 KMT2A (0.44) MAPTMCL1LMNAEGFRHPGD

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-1535947-B1 Diorganosiloxane derivatives containing a 4,4-diarylbutadiene moiety, sunscreen compositions containing them and their uses OREAL (FR) 2010-01-06 EP disclosed