SCHEMBL4306278

SCHEMBL4306278

COC(I)=C(C(=O)O)c1ccccc1Oc1cc(Cl)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
CCR2 P41597 3/20 0.34
STAT3 P40763 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28765809 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL27075764 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL709626 0.88 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL709625 0.85 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3958269 0.84 PIN1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29738609 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL26697220 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18707366 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5132454 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6563664 0.78 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1

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-2074104-A1 PROCESS FOR PREPARING 6-PHEN0XYPYRIMIDIN-4-OL DERIVATIVES IN THE PRESENCE OF A QUINUCLIDINE OR A N-METHYL PYRROLIDINE DERIVATIVE Syngenta Limited (GB) 2009-07-01 EP disclosed
WO-2008043977-A1 PROCESS FOR PREPARING 6-PHEN0XYPYRIMIDIN-4-OL DERIVATIVES IN THE PRESENCE OF A QUINUCLIDINE OR A N-METHYL PYRROLIDINE DERIVATIVE SYNGENTA LIMITED (GB) 2008-04-17 WO disclosed