SCHEMBL3410083

SCHEMBL3410083

O=C(Nc1cccnc1)c1c(=O)[nH]n2c(=O)c3c([nH]c12)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.41
BLM P54132 2/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
CRHBP P24387 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
SCHEMBL3411680 0.88 MAPT (0.47) LMNAALDH1A1KDM4EHTTRAB9A
SCHEMBL3410031 0.87 MAPT (0.52) LMNAALDH1A1KDM4EHTTRAB9A
SCHEMBL3409992 0.81 POLB (0.50) LMNAALDH1A1KDM4EHTTRAB9A
SCHEMBL3411549 0.81 NPC1 (0.49) LMNAALDH1A1KDM4EHTTRAB9A
SCHEMBL3411765 0.80 MAPT (0.43) LMNAALDH1A1KDM4EHTTTSHR
SCHEMBL3411768 0.78 MAPT (0.46) LMNAALDH1A1KDM4EHTTTSHR
SCHEMBL3408312 0.74 TDP1 (0.49) LMNAALDH1A1KDM4EHTTTSHR
SCHEMBL3408224 0.73 MAPT (0.50) LMNAALDH1A1KDM4EHTTNPSR1
SCHEMBL3405825 0.70 MAPT (0.55) LMNAALDH1A1KDM4EHTTTSHR
SCHEMBL2637533 0.69 MAPT (0.50) LMNATSHRTP53MEN1KMT2A

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