SCHEMBL365377

SCHEMBL365377

CN(CCOC(=O)c1c2ccccc2n2cc(OCC#N)ccc12)Cc1cn(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.47
ADAM17 P78536 1/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
HASPIN Q8TF76 1/20 0.33
DUSP3 P51452 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR4A2 P43354 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL365378 0.89 KMT2A (0.45) HTR5AADAM17KMT2AALDH1A1KDM4E
SCHEMBL366450 0.88 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL364443 0.86 ALDH1A1 (0.45) KMT2AALDH1A1KDM4ETDP1MEN1
SCHEMBL364990 0.84 ALDH1A1 (0.36) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL365607 0.84 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ETDP1MEN1
SCHEMBL364938 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL366268 0.83 SMN1; SMN2 (0.37) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL364883 0.82 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL366244 0.81 PSEN1 (0.41) KMT2AALDH1A1KDM4EMEN1LMNA
SCHEMBL366164 0.80 TSHR (0.39) KMT2AALDH1A1KDM4EMEN1LMNA

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed