SCHEMBL8032652

SCHEMBL8032652

CC(C)(C)c1csc(/C(C#N)=C(/O)c2ccccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 4/20 0.40
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CCR4 P51679 2/20 0.37
NPC1 O15118 5/20 0.37
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RORB Q92753 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL8032656 1.00 MAPT (0.40) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8036557 0.80 MAPT (0.63) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8036552 0.80 MAPT (0.63) MAPTALDH1A1POLBKMT2AMEN1
Dimethylamine SCHEMBL11274153 0.79 MAPT (0.58) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL9807120 0.77 MAPT (0.38) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL9807119 0.77 MAPT (0.38) MAPTALDH1A1POLBKMT2AMEN1
Pyrrolidine SCHEMBL11276989 0.73 MAPT (0.54) MAPTALDH1A1POLBKMT2AMEN1
Benzylamine SCHEMBL11268188 0.73 MAPT (0.57) MAPTALDH1A1POLBKMT2AMEN1
Butylamine SCHEMBL11281786 0.73 MEN1 (0.55) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL8032304 0.72 KMT2A (0.46) MAPTALDH1A1POLBKMT2AMEN1

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-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed