SCHEMBL16144154

SCHEMBL16144154

CCOc1c(NCCCNc2c(NCCc3ccccc3)c(=O)c2=O)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
FES P07332 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
CXCR2 P25025 1/20 0.41
TP53 P04637 1/20 0.40
RPS27 P42677 1/20 0.40
HDAC1 Q13547 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL16264714 0.86 MEN1 (0.56) KMT2AMEN1POLBCTDSP1GAA
SCHEMBL31155156 0.80 MAPT (0.48) KMT2AMEN1GAAMAPTSMN1; SMN2
SCHEMBL9208078 0.80 GAA (0.52) KMT2APOLBGAAMAPTSMN1; SMN2
SCHEMBL8592976 0.76 MAPT (0.43) KMT2AMEN1POLBGAAMAPT
SCHEMBL19956899 0.75 MEN1 (0.63) KMT2AMEN1POLBCTDSP1GAA
SCHEMBL25025146 0.73 POLB (0.41) POLBGAAMAPTSMN1; SMN2
SCHEMBL31163657 0.73 POLB (0.41) POLBGAAMAPTSMN1; SMN2
SCHEMBL22301648 0.73 POLB (0.41) POLBGAAMAPTSMN1; SMN2
SCHEMBL14546802 0.72 GAA (0.45) POLBGAAMAPTMAPK1KDM4E
SCHEMBL31225285 0.71 GAA (0.42) POLBGAAMAPTNPC1RAB9A

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
WO-2014160200-A9 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-11-27 WO disclosed
WO-2014160200-A1 RAS INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-10-02 WO disclosed