SCHEMBL7239058

SCHEMBL7239058

COc1cc(C=NN)cc(-c2ccccc2)c1OCCN1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
GCGR P47871 2/20 0.53
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.43
ABCB1 P08183 2/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL7229718 0.88 GCGR (0.66) KDM4EALDH1A1MAPTGCGRMEN1
SCHEMBL9072191 0.79 GCGR (0.85) ALDH1A1MAPTGCGRMEN1KMT2A
SCHEMBL2652406 0.76 GCGR (0.61) KDM4EALDH1A1MAPTGCGRMEN1
SCHEMBL2663669 0.73 GCGR (0.77) ALDH1A1MAPTGCGRMEN1KMT2A
SCHEMBL7229588 0.71 KDM4E (0.52) KDM4EALDH1A1MAPTGCGRMEN1
SCHEMBL9072184 0.70 GCGR (1.00) MAPTGCGRPOLB
SCHEMBL3860629 0.69 KDM4E (0.69) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7229722 0.67 GCGR (0.64) KDM4EALDH1A1MAPTGCGRMEN1
SCHEMBL8500338 0.67 POLB (0.60) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2650140 0.66 GCGR (0.59) KDM4EALDH1A1MAPTGCGRMEN1

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
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed