SCHEMBL2637170

SCHEMBL2637170

O=c1[nH]n2c(=O)cc(-c3ccccc3)[nH]c2c1Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 6/20 0.40
LMNA P02545 3/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
GAA P10253 1/20 0.39
CDC25B P30305 1/20 0.39
CASP3 P42574 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 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
SCHEMBL2637722 0.88 PSD (0.39) MAPTTHRBTP53HPGDKDM4E
SCHEMBL2638843 0.86 MAPT (0.35) MAPTTHRBHPGDKDM4EALDH1A1
SCHEMBL2637724 0.84 TYMP (0.35) MAPTTHRBTP53HPGDKDM4E
SCHEMBL2637590 0.83 KDM4E (0.41) MAPTTP53HPGDLMNAKDM4E
SCHEMBL2637972 0.81 MEN1 (0.41) MAPTHPGDLMNAKDM4EALDH1A1
SCHEMBL2637594 0.81 MAT2A (0.37) MAPTTHRBHPGDLMNAKDM4E
SCHEMBL2637584 0.79 MET (0.39) MAPTTHRBHPGDKDM4EALDH1A1
SCHEMBL2637795 0.77 MEN1 (0.44) MAPTTP53HPGDLMNAKDM4E
SCHEMBL2637547 0.75 NPC1 (0.48) MAPTTP53LMNAMEN1KMT2A
SCHEMBL2637343 0.75 ALDH1A1 (0.46) MAPTALDH1A1MEN1TDP2CASP6

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-2438070-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed