SCHEMBL3411281

SCHEMBL3411281

O=C(Nc1ccccc1)c1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
SRC P12931 2/20 0.52
KMT2A Q03164 4/20 0.49
ADORA3 P0DMS8 2/20 0.48
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 2/20 0.46
SLC22A12 Q96S37 1/20 0.45
CFTR P13569 1/20 0.43
MAPK10 P53779 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CCNA1 P78396 1/20 0.42
BRD4 O60885 1/20 0.41
FGFR1 P11362 1/20 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
SCHEMBL3408234 0.84 KDM4E (0.54) KMT2AADORA3MEN1MAPK10ALDH1A1
SCHEMBL3407406 0.78 BRD4 (0.46) KMT2AADORA3NPC1MEN1RAB9A
SCHEMBL3410031 0.76 MAPT (0.52) KMT2ANPC1MEN1RAB9ASLC22A12
SCHEMBL3407318 0.74 ALDH1A1 (0.53) KMT2AADORA3NPC1MEN1RAB9A
SCHEMBL2638043 0.74 MAPK10 (0.45) KMT2AADORA3NPC1MEN1RAB9A
SCHEMBL2069110 0.73 KMT2A (0.78) EGFRKMT2ANPC1MEN1RAB9A
SCHEMBL2637246 0.72 MAPK10 (0.41) EGFRKMT2AMEN1RAB9ASLC22A12
SCHEMBL2637269 0.71 SLC22A12 (0.41) EGFRKMT2ANPC1MEN1RAB9A
SCHEMBL2637462 0.71 SLC22A12 (0.41) EGFRSRCKMT2ANPC1MEN1
SCHEMBL3409988 0.71 MAPT (0.53) SRCKMT2ANPC1MEN1

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