SCHEMBL2638375

SCHEMBL2638375

O=C(Nc1c(=O)[nH]n2c(=O)cc(-c3cccc(Cl)c3)[nH]c12)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNMA1 Q12791 1/20 0.41
NPC1 O15118 2/20 0.39
KAT6A Q92794 1/20 0.39
DHODH Q02127 1/20 0.38
LMNA P02545 2/20 0.37
GRM5 P41594 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL2637406 0.92 MAPT (0.41) MAPTRAB9ASMN1; SMN2ALDH1A1KCNMA1
SCHEMBL2637595 0.90 MAPT (0.43) MAPTRAB9ASMN1; SMN2KCNMA1NPC1
SCHEMBL2637547 0.90 NPC1 (0.48) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2637478 0.86 HSP90AA1 (0.47) MAPTRAB9AALDH1A1NPC1DHODH
SCHEMBL2637331 0.86 KMT2A (0.47) MAPTRAB9AALDH1A1KCNMA1NPC1
SCHEMBL2637509 0.83 HSP90AA1 (0.44) MAPTRAB9ANPC1TP53MEN1
SCHEMBL2637972 0.77 MEN1 (0.41) MAPTRAB9AALDH1A1NPC1LMNA
SCHEMBL2637889 0.76 KMT2A (0.46) MAPTRAB9AALDH1A1KCNMA1NPC1
SCHEMBL2637207 0.76 CNR2 (0.45) MAPTRAB9AALDH1A1NPC1DHODH
SCHEMBL2637343 0.76 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1NPC1

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