SCHEMBL28079536

SCHEMBL28079536

Fc1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
LMNA P02545 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK10 P53779 1/20 0.44
MAPK14 Q16539 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
PDE10A Q9Y233 1/20 0.42
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
THRB P10828 1/20 0.40
DHODH Q02127 1/20 0.40
DHFR P00374 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
SCHEMBL27993149 0.86 PIM1 (0.44) KMT2AMEN1KDM4EL3MBTL1TDP1
SCHEMBL8672719 0.84 MEN1 (0.58) KMT2AMEN1L3MBTL1ALDH1A1MAPK10
SCHEMBL2623781 0.79 KDM4E (0.55) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL5987759 0.78 KMT2A (0.56) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL28910018 0.77 MAPT (0.56) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL8371593 0.77 ACHE (0.63) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL2862813 0.77 KMT2A (0.54) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL12578244 0.77 MAPT (0.58) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL31070200 0.77 KDM4E (0.58) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL20798675 0.77 KMT2A (0.54) KMT2AMEN1KDM4EL3MBTL1LMNA

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
CN-105693632-A Preparation method of polysubstitution quinoxalin derivatives 华侨大学 2016-06-22 CN disclosed