SCHEMBL4357096

SCHEMBL4357096

CCCc1nn(Cc2cccc(Br)c2)c(=O)c(C(=O)OCC)c1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 3/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
POLB P06746 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL3850063 0.84 CYP19A1 (0.49) CYP19A1SMN1; SMN2ALDH1A1PTGDR2KMT2A
SCHEMBL4368342 0.82 AKR1B1 (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1PTGES
SCHEMBL4364951 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL4361363 0.82 PTGDR2 (0.48) PTGDR2KMT2AMEN1LMNAMAPK1
SCHEMBL4362931 0.77 KDM4E (0.46) ALDH1A1PTGDR2KMT2AMEN1LMNA
SCHEMBL3848644 0.75 MAPK1 (0.67) CYP19A1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL4360629 0.73 AKR1B1 (0.40) ALDH1A1PTGDR2KMT2AMEN1ALOX5
SCHEMBL4360566 0.73 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL29699784 0.73 CYP19A1 (0.57) CYP19A1SMN1; SMN2PTGDR2KMT2AMEN1
SCHEMBL15498678 0.72 CYP19A1 (0.56) CYP19A1SMN1; SMN2ALDH1A1PTGDR2KMT2A

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-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed