SCHEMBL3407406

SCHEMBL3407406

O=C(Nc1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HDAC1 Q13547 1/20 0.43
PARP14 Q460N5 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 4/20 0.41
PARP1 P09874 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
MAOB P27338 1/20 0.39
ADORA2A P29274 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AURKA O14965 1/20 0.39
MAPK13 O15264 1/20 0.39
CHEK2 O96017 1/20 0.39
NTRK1 P04629 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL3413639 0.89 MEN1 (0.47) BRD4KMT2AMEN1MAPTNPC1
SCHEMBL3407740 0.88 NPC1 (0.49) KMT2AMEN1PARP14MAPTNPC1
SCHEMBL3409988 0.83 MAPT (0.53) KMT2AMEN1MAPTNPC1PKM
SCHEMBL3411281 0.78 EGFR (0.52) BRD4KMT2AMEN1NPC1RAB9A
SCHEMBL3405825 0.76 MAPT (0.55) KMT2AMEN1MAPTPARP1NPC1
SCHEMBL3408234 0.76 KDM4E (0.54) KMT2AMEN1CA12CA9MAPT
SCHEMBL3410873 0.75 ALDH1A1 (0.41) KMT2AMEN1MAPTPKMSMN1; SMN2
SCHEMBL3411555 0.72 ALDH1A1 (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL2637556 0.72 POLB (0.46) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL3405698 0.71 ALDH1A1 (0.47) KMT2AMEN1CA12CA9PARP1

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-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP claimed
EP-2264035-A1 Glycine B antagonists Merz Pharma GmbH & Co. KGaA (DE) 2010-12-22 EP disclosed