SCHEMBL13354501

SCHEMBL13354501

CNc1ccc(C(=O)NCCN2CCOCC2)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.53
CD274 Q9NZQ7 2/20 0.53
HTR1A P08908 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
KCNH2 Q12809 1/20 0.53
POLB P06746 1/20 0.53
MMP12 P39900 4/20 0.53
LMNA P02545 2/20 0.52
MMP2 P08253 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL279580 0.85 KMT2A (0.62) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL277405 0.84 KMT2A (0.61) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL11919030 0.84 KMT2A (0.61) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL277558 0.83 MEN1 (0.64) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL11916012 0.81 KMT2A (0.59) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL22515316 0.81 KMT2A (0.59) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL3980169 0.78 MEN1 (0.74) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL279608 0.78 MEN1 (0.74) KMT2AMEN1L3MBTL1GLAGAA
SCHEMBL5000477 0.78 AKT3 (0.66) KMT2AMEN1L3MBTL1MMP12LMNA
SCHEMBL12313823 0.77 MEN1 (0.72) KMT2AMEN1L3MBTL1GLAGAA

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
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed