SCHEMBL7092192

SCHEMBL7092192

CC(=O)Nc1ccc(C(C)=O)c(C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
PTK2 Q05397 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK8 P45983 1/20 0.41
SORT1 Q99523 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ADORA3 P0DMS8 4/20 0.41
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL19736135 0.81 GRM5 (0.50) KDM4ELMNAPTK2MAPK8L3MBTL1
SCHEMBL9753194 0.81 SORT1 (0.53) KDM4ELMNAPTK2ALDH1A1NPC1
SCHEMBL2019170 0.78 KDM4E (0.46) KDM4ELMNAPTK2ALDH1A1NPC1
SCHEMBL28545686 0.78 PTK2 (0.51) KDM4ELMNAPTK2NPC1RAB9A
SCHEMBL9974219 0.78 KDM4E (0.46) KDM4ELMNAPTK2ALDH1A1NPC1
SCHEMBL1269767 0.78 RAB9A (0.60) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL12513100 0.76 MAPK8 (0.47) KDM4ELMNAPTK2ALDH1A1NPC1
SCHEMBL9753618 0.75 ALDH1A1 (0.56) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL14878851 0.75 KDM4E (0.44) SMN1; SMN2KDM4ELMNAPTK2ALDH1A1
SCHEMBL12435247 0.75 KDM4E (0.44) SMN1; SMN2KDM4ELMNAPTK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842924-B1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER (US) 2003-08-20 EP claimed
EP-0842924-A1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER INC. (US) 1998-05-20 EP claimed
EP-0842924-B1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER (US) 2003-08-20 EP disclosed
US-6031105-A Substituted pyridines PFIZER INC (US) 2000-02-29 US disclosed
US-6008361-A Substituted pyridines PFIZER INC. (US) 1999-12-28 US disclosed
EP-0842924-A1 Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists PFIZER INC. (US) 1998-05-20 EP disclosed