SCHEMBL212869

SCHEMBL212869

CCCCCC(OC(=O)Nc1cc2ccccc2cn1)OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.51
NOTUM Q6P988 1/20 0.44
SMPD1 P17405 3/20 0.43
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTOR P42345 1/20 0.40
CETP P11597 1/20 0.38
ABL1 P00519 2/20 0.38
WNT3A P56704 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPV1 Q8NER1 3/20 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
SCHEMBL213604 0.78 CTSK (0.57) CTSKNOTUMKDM4EKMT2AL3MBTL1
SCHEMBL2841496 0.73 CTSK (0.36) CTSKNOTUMMTORABL1RAB9A
SCHEMBL2837600 0.73 CTSK (0.52) CTSKNOTUMKDM4EMTORABL1
SCHEMBL215045 0.72 NOTUM (0.49) CTSKNOTUMKDM4EMTORABL1
SCHEMBL2839420 0.71 CTSK (0.38) CTSKNOTUMMTORABL1
SCHEMBL213202 0.70 NOTUM (0.46) CTSKNOTUMKDM4EMTORABL1
SCHEMBL212870 0.70 NOTUM (0.46) CTSKNOTUMKDM4EMTORABL1
SCHEMBL2574304 0.69 EPHX1 (0.61) CTSKNOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL22550360 0.69 CTSK (0.50) CTSKNOTUMKDM4EMTORABL1
SCHEMBL2837602 0.69 NOTUM (0.46) CTSKNOTUMKDM4EMTORABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed