SCHEMBL7229588

SCHEMBL7229588

COc1cccc2c(OCCN3CCc4ccccc4C3)ccc(C=NN)c12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
ABCB1 P08183 5/20 0.50
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
GCGR P47871 2/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 2/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL2652406 0.81 GCGR (0.61) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL9072180 0.78 GCGR (0.77) GCGR
SCHEMBL7229718 0.73 GCGR (0.66) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL3860629 0.72 KDM4E (0.69) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL2664373 0.71 ABCB1 (0.54) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL7239058 0.71 KDM4E (0.54) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL7333842 0.69 L3MBTL1 (0.54) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL2650140 0.69 GCGR (0.59) KDM4EALDH1A1MAPTABCB1MEN1
SCHEMBL5833752 0.67 NOS3 (0.74) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8501315 0.67 SIGMAR1 (0.68) KDM4EABCB1TDP1POLB

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