SCHEMBL6532090

SCHEMBL6532090

CCNc1ccc(C=Cc2cccc[n+]2CC)c(NCC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
STAT3 P40763 1/20 0.43
POLB P06746 2/20 0.33
GFER P55789 2/20 0.33
KDM4A O75164 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
PABPC1 P11940 1/20 0.31
APOBEC3A P31941 3/20 0.31
APOBEC3G Q9HC16 3/20 0.31
LMNA P02545 2/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL10104138 0.72 KDM4E (0.45) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL12657240 0.70 MEN1 (0.63) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL28385314 0.68 MAPT (0.38) KDM4EHTTALDH1A1MAPTPOLB
SCHEMBL17911706 0.67 KMT2A (0.59) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL10104049 0.67 RAB9A (0.55) KDM4EKMT2AMEN1RAB9ANPC1
Iodide SCHEMBL7031948 0.66 KMT2A (0.62) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL14393529 0.65 RAB9A (0.56) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL22851946 0.65 MEN1 (0.53) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL7568952 0.63 KMT2A (0.67) KDM4EKMT2AMEN1RAB9ANPC1
SCHEMBL9588524 0.63 RAB9A (0.67) KDM4EKMT2AMEN1RAB9ANPC1

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-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed