SCHEMBL4770798

SCHEMBL4770798

CN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3NN3Cc4ccccc4C3=O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDR P35968 2/20 0.38
GRM4 Q14833 2/20 0.38
NAMPT P43490 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ABCB1 P08183 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3141747 0.79 KDR (0.47) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL4773961 0.78 PDPK1 (0.40) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL6223371 0.78 KDR (0.48) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL447100 0.78 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1NAMPTKDM4E
SCHEMBL447011 0.76 KDR (0.66) KDRABCB1
SCHEMBL4773975 0.75 MAPT (0.44) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL5626692 0.75 PTGS1 (0.55) KMT2AMEN1RAB9ANAMPTABCB1
SCHEMBL6105558 0.75 KDR (0.56) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL4770421 0.75 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL3156233 0.75 KDR (0.51) KMT2AMEN1MAPTKDRKDM4E

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
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP claimed