SCHEMBL2649923

SCHEMBL2649923

COc1ccccc1Oc1ccccc1NC(=O)CC(=O)Nc1ncc(Cl)s1.COc1ccccc1Oc1ccccc1NC(=O)CC(=O)Nc1ncc(SC)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
CDK5 Q00535 1/20 0.51
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
FFAR2 O15552 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL1341897 0.95 CCNE1 (0.56) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL1343433 0.93 NPC1 (0.53) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL1343742 0.86 CCNE1 (0.50) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL1343736 0.85 CCNE1 (0.49) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL1343811 0.83 RAB9A (0.47) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL1341811 0.82 SMN1; SMN2 (0.48) NPC1RAB9AKMT2ASMN1; SMN2TP53
SCHEMBL1340901 0.82 NPC1 (0.46) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL1342400 0.81 NPC1 (0.53) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL1343257 0.80 TSHR (0.45) CCNE1CDK2CDK5NPC1RAB9A
SCHEMBL1342598 0.79 CCNE1 (0.56) CCNE1CDK2CDK5NPC1RAB9A

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