SCHEMBL7702135

SCHEMBL7702135

N#CC(C#N)=C1C=CC=C2c3ccccc3C(=O)C21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
MAPT P10636 5/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2B P41595 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 5/20 0.33
NPC1 O15118 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK10 P53779 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.32
S100A4 P26447 1/20 0.31
POLB P06746 1/20 0.31
GSK3B P49841 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
SCHEMBL731490 0.78 PIM1 (0.33) PIM1
SCHEMBL6688204 0.74 MAPT (0.45) PIM1MAPTTP53LMNACYP1A2
SCHEMBL10721372 0.72 PIM1 (0.33) PIM1MAPTTP53LMNACYP1A2
SCHEMBL6049156 0.72 MAPT (0.40) PIM1MAPTTP53LMNACYP1A2
SCHEMBL8040477 0.71 MAPT (0.42) PIM1MAPTTP53LMNACYP1A2
SCHEMBL4638985 0.70 PIM1 (0.36) PIM1MAPTTP53LMNACYP1A2
SCHEMBL5928754 0.70 PIM1 (0.35) PIM1MAPTTP53LMNACYP1A2
SCHEMBL5094564 0.68 MAPT (0.39) PIM1MAPTTP53LMNACYP1A2
SCHEMBL3274379 0.65 MAPT (0.42) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL9190409 0.64 PIM1 (0.33) PIM1MAPTTP53LMNACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8134019-A None JP disclosed
US-6352809-B1 CONTACTING SOLUTION CONTAINING AT LEAST ONE OPTICALLY FUNCTIONAL ORGANOSILICON COMPOUND WITH SOLID CATALYST FOR REACTION, SEPARATING CATALYST TO FORM OPTICALLY FUNCTIONAL COATING SOLUTION, COATING AND CURING TO FORM CURED FILM FUJI XEROX CO., LTD. (JP) 2002-03-05 US disclosed
JP-H08134019-A FLUORENONE DERIVATIVE, ITS POLYMER AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR USING THE SAME KONICA CORP 1996-05-28 JP disclosed