SCHEMBL2651301

SCHEMBL2651301

Cc1ccc(N(C(=O)Nc2ncc(CCc3ncno3)s2)N(C(=O)Nc2ncc(Cc3ncno3)s2)c2ccc(C)cc2N2CCCCC2)c(N2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
PRNP P04156 1/20 0.34
MAPK14 Q16539 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.33
ABL1 P00519 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL2651299 0.86 POLB (0.40) SMN1; SMN2NPC1RAB9AMAPK14MAPT
SCHEMBL1340704 0.84 POLB (0.41) SMN1; SMN2MAPK14MAPTPOLB
SCHEMBL1340915 0.82 POLB (0.42) SMN1; SMN2NPC1RAB9AKDM4EMEN1
SCHEMBL2650756 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNACYP1A2CYP3A4CYP2C19
SCHEMBL1344262 0.69 POLB (0.45) SMN1; SMN2PRNPMEN1MAPTKMT2A
SCHEMBL1340838 0.68 POLB (0.43) SMN1; SMN2MAPK14MAPTPOLB
SCHEMBL1341597 0.68 MAPK14 (0.41) SMN1; SMN2NPC1RAB9AMAPK14MEN1
SCHEMBL1340733 0.68 POLB (0.39) SMN1; SMN2MAPK14MAPTPOLB
SCHEMBL1343546 0.68 MAPK14 (0.39) SMN1; SMN2MAPK14MAPTPOLB
SCHEMBL2650977 0.68 MAPK14 (0.36) MAPK14POLB

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed