SCHEMBL4739209

SCHEMBL4739209

Cc1cccc(C)c1-c1nc(O)cc(=O)n1Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.46
CCR9 P51686 10/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FBP1 P09467 1/20 0.40
ATM Q13315 1/20 0.39
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
METAP2 P50579 1/20 0.38
POLB P06746 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
F2R P25116 1/20 0.37

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
SCHEMBL4739981 0.89 EGLN3 (0.56) EGLN3CCR9MEN1KMT2AFBP1
SCHEMBL4737534 0.88 EGLN3 (0.44) EGLN3CCR9MEN1KMT2AFBP1
SCHEMBL4741832 0.88 CCR9 (0.44) EGLN3CCR9MEN1KMT2AFBP1
SCHEMBL4782916 0.86 CCR9 (0.43) EGLN3CCR9MEN1KMT2ATP53
SCHEMBL4741831 0.86 EGLN3 (0.48) EGLN3CCR9MEN1KMT2A
SCHEMBL4740088 0.85 CCR9 (0.45) EGLN3CCR9MEN1KMT2ATP53
SCHEMBL5000326 0.84 CCR9 (0.47) EGLN3CCR9MEN1KMT2ATP53
SCHEMBL4740335 0.84 EGLN3 (0.46) EGLN3CCR9MEN1KMT2A
SCHEMBL4737518 0.83 EGLN3 (0.51) EGLN3CCR9MEN1KMT2A
SCHEMBL4739991 0.82 CCR9 (0.49) EGLN3CCR9MEN1KMT2ATP53

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
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed