SCHEMBL7821773

SCHEMBL7821773

N#C/C(=C\c1cccc(O)c1)C(=O)OC(=O)[C@H](O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
DNM1 Q05193 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MIF P14174 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
Alpha-Cyano-3-Hydroxycinnamic Acid SCHEMBL7821767 0.83 KDM4E (0.68) KDM4EMAPTKMT2AMEN1EGFR
SCHEMBL7821768 0.80 KDM4E (0.56) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457227 0.73 KDM4E (0.70) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457224 0.73 KDM4E (0.70) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457688 0.72 KDM4E (0.65) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457247 0.72 MAPT (0.76) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457685 0.72 KDM4E (0.65) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457249 0.72 MAPT (0.76) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457147 0.72 KDM4E (0.60) KDM4EMAPTKMT2AMEN1PDCD1
SCHEMBL21457145 0.72 KDM4E (0.60) KDM4EMAPTKMT2AMEN1PDCD1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed