SCHEMBL6922150

SCHEMBL6922150

COc1cc(NC(Cl)C(=O)O)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.44
G6PD P11413 1/20 0.44
HTT P42858 2/20 0.44
THRB P10828 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTR1A P08908 1/20 0.42
HPGD P15428 1/20 0.42
HTR2C P28335 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL2674642 0.81 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL11197844 0.79 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL11062887 0.79 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2910412 0.78 MEN1 (0.49) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL7582686 0.75 KMT2A (0.66) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL11066635 0.74 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL27688081 0.74 MMP2 (0.47) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL27688083 0.74 MMP2 (0.47) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL2090421 0.73 ATM (0.58) MEN1KMT2AMAPTSMN1; SMN2ATM
SCHEMBL9525229 0.73 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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-2004065389-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE XENOVA LIMITED (GB) 2004-08-05 WO disclosed