SCHEMBL5263127

SCHEMBL5263127

CC(C)N(C(=O)O)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
KCNN4 O15554 1/20 0.43
KCNA5 P22460 1/20 0.43
GPR139 Q6DWJ6 1/20 0.41
ADAMTS4 O75173 1/20 0.41
HTR2C P28335 1/20 0.41
PER2 O15055 1/20 0.41
CRY1 Q16526 1/20 0.41
CRY2 Q49AN0 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 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
SCHEMBL14632372 0.77 KCNN4 (0.42) GSK3BKCNN4KCNA5GPR139ADAMTS4
SCHEMBL16934132 0.76 ALDH1A1 (0.47) HTR2CLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL14697483 0.76 KCNA5 (0.46) GSK3BKCNN4KCNA5LMNAALDH1A1
SCHEMBL2850199 0.76 HTR2C (0.47) HTR2CLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL3933066 0.76 HTR2C (0.47) HTR2CLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL578453 0.76 ALDH1A1 (0.47) HTR2CLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL5262282 0.76 MTNR1A (0.44) HTR2CLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL6300638 0.76 FFAR1 (0.47) GSK3BKCNN4KCNA5LMNAALDH1A1
SCHEMBL13367360 0.76 KCNA5 (0.46) KCNN4KCNA5GPR139PER2CRY1
SCHEMBL2543696 0.75 ALDH1A1 (0.63) HTR2CLMNAALDH1A1TP53SMN1; SMN2

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-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed