SCHEMBL2646725

SCHEMBL2646725

Cc1ccnc(Cn2ccc3c(C=O)cccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
HTR6 P50406 1/20 0.38
SLC2A1 P11166 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HTT P42858 2/20 0.36
APP P05067 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
SCHEMBL2648694 0.85 GCGR (0.38) ALDH1A1LMNASMN1; SMN2POLBHTR6
SCHEMBL8685682 0.82 SLC2A1 (0.52) ALDH1A1LMNASMN1; SMN2TDP1SLC2A1
SCHEMBL8687683 0.80 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL2648704 0.77 NPC1 (0.41) POLBKMT2A
SCHEMBL8685545 0.76 FABP6 (0.41) ALDH1A1LMNASMN1; SMN2TDP1SCN5A
SCHEMBL8685406 0.74 APP (0.49) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL29955958 0.72 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL1253456 0.72 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TDP1POLB
SCHEMBL8394619 0.72 APP (0.63) ALDH1A1LMNASMN1; SMN2TDP1HTR6
SCHEMBL8690879 0.72 HDAC3 (0.46) ALDH1A1LMNASMN1; SMN2TDP1SLC2A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed