SCHEMBL21158099

SCHEMBL21158099

C/C=C1/N(CC)c2ccc(C)cc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 6/20 0.47
HTT P42858 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 4/20 0.36
POLB P06746 4/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 2/20 0.36

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
SCHEMBL14341063 0.83 KCNK2 (0.43) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL21301921 0.82 MAPT (0.49) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL16523149 0.79 MAPT (0.66) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL14274879 0.79 MAPT (0.66) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL9750249 0.78 KMT2A (0.39) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL5543415 0.78 CYP2C9 (0.49) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL19731565 0.77 MEN1 (0.38) KMT2AMEN1MAPTCYP2C19ALDH1A1
SCHEMBL18855496 0.77 MEN1 (0.38) KMT2AMEN1MAPTCYP2C19ALDH1A1
SCHEMBL19050545 0.75 MEN1 (0.39) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL13712717 0.74 MEN1 (0.41) KMT2AMEN1MAPTHTTKDM4E

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-3508553-A1 COLOR-ASSUMING COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR FORMING LITHOGRAPHIC PRINTING PLATE, AND COMPOUND FUJIFILM Corporation (JP) 2019-07-10 EP disclosed