SCHEMBL6689272

SCHEMBL6689272

N#Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP8 P40818 1/20 0.47
USP7 Q93009 1/20 0.47
SCN2A Q99250 5/20 0.46
PIM3 Q86V86 1/20 0.46
HIPK4 Q8NE63 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1H3 Q13133 2/20 0.45
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
PGR P06401 1/20 0.44
PIM1 P11309 1/20 0.42

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
SCHEMBL5574945 0.86 POLB (0.49) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL22129208 0.85 AR (0.55) MEN1KMT2AUSP8USP7SCN2A
SCHEMBL1633789 0.82 MEN1 (0.45) MEN1KMT2AUSP8USP7SCN2A
SCHEMBL31513527 0.82 NPC1 (0.44) MEN1KMT2AUSP8USP7ALDH1A1
SCHEMBL10754949 0.81 APEX1 (0.50) MEN1KMT2ASCN2AALDH1A1CA9
SCHEMBL10753101 0.81 NPSR1 (0.49) MEN1KMT2ASCN2AALDH1A1CA9
SCHEMBL10760985 0.80 ESR1 (0.41) MEN1KMT2AUSP8USP7SCN2A
SCHEMBL17995366 0.80 POLB (0.42) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL23017534 0.79 POLB (0.41) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL18215026 0.79 POLB (0.41) MEN1KMT2AALDH1A1LMNAHPGD

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
WO-2004089995-A2 PHOTOPOLYMERIZATION SYSTEMS AND THEIR USE ALBEMARLE CORPORATION (US) 2004-10-21 WO disclosed
US-20040198859-A1 Photopolymerization systems and their use NGUYEN CHAU K (US) 2004-10-07 US disclosed