SCHEMBL3409988

SCHEMBL3409988

O=C(Nc1c(=O)[nH]n2c(=O)c3ccccc3[nH]c12)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.44
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
IGF1R P08069 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL3407406 0.83 BRD4 (0.46) MAPTPKMNPC1AURKAAURKB
SCHEMBL3413627 0.78 MAPT (0.46) MAPTLMNANPC1TP53GAA
SCHEMBL2637575 0.78 MAPT (0.40) MAPTLMNAPKMNPC1TP53
SCHEMBL3413639 0.78 MEN1 (0.47) MAPTNPC1TP53GAAKMT2A
SCHEMBL3407740 0.77 NPC1 (0.49) MAPTLMNAPKMNPC1TP53
SCHEMBL2637547 0.76 NPC1 (0.48) MAPTLMNAPKMNPC1TP53
SCHEMBL2637406 0.75 MAPT (0.41) MAPTLMNAPKMNPC1TP53
SCHEMBL2637595 0.75 MAPT (0.43) MAPTLMNAPKMNPC1TP53
SCHEMBL3411555 0.74 ALDH1A1 (0.46) MAPTLMNANPC1GAAAURKA
SCHEMBL2638375 0.73 MAPT (0.48) MAPTLMNAPKMNPC1TP53

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