SCHEMBL2837602

SCHEMBL2837602

O=C(Nc1cc2ccccc2cn1)OCCCCC(O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
CTSK P43235 1/20 0.45
WNT3A P56704 1/20 0.42
CHEK1 O14757 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MTOR P42345 1/20 0.40
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
ABL1 P00519 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
RECQL P46063 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
SCHEMBL213835 0.84 KDM4E (0.47) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL213675 0.84 NOTUM (0.49) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL213605 0.83 KDM4E (0.46) NOTUMWNT3ACHEK1KDM4EALDH1A1
SCHEMBL215046 0.82 ALDH1A1 (0.48) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL212870 0.81 NOTUM (0.46) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL213202 0.81 NOTUM (0.46) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL22550360 0.81 CTSK (0.50) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL2837604 0.79 CTSK (0.44) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL214063 0.78 NOTUM (0.47) NOTUMCTSKWNT3ACHEK1KDM4E
SCHEMBL22793399 0.77 NOTUM (0.52) NOTUMCTSKWNT3ACHEK1KDM4E

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-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed