SCHEMBL20044344

SCHEMBL20044344

N#CC(C#N)=C1CC(O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ EGFR P00533 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ GPR35 Q9HC97 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 1/20 0.30

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
SCHEMBL20880934 1.00 KMT2A (0.36) KMT2AEGFRGAAALDH1A1MAPT
SCHEMBL25007723 0.82 KMT2A (0.35) KMT2AEGFRGAAALDH1A1MAPT
SCHEMBL14600847 0.78 KMT2A (0.33) KMT2AEGFRGAAALDH1A1MAPT
SCHEMBL23278523 0.76 MAPT (0.36) KMT2AEGFRALDH1A1MAPTMEN1
SCHEMBL24899666 0.74 EGFR (0.33) EGFR
SCHEMBL29619668 0.71 EGFR (0.40) KMT2AEGFRGAAALDH1A1MAPT
SCHEMBL255284 0.71 EGFR (0.40) KMT2AEGFRGAAALDH1A1MAPT
SCHEMBL21938552 0.69 PIM1 (0.38) KMT2AGAAALDH1A1MAPTGPR35
SCHEMBL11910650 0.67 ALDH1A1 (0.34) KMT2AGAAALDH1A1MAPTGPR35
SCHEMBL13273815 0.66 SLC6A2 (0.35) —

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
EP-3500577-B1 ORGANIC SEMICONDUCTING COMPOUNDS RAYNERGY TEK INC (TW) 2021-12-01 — — EP disclosed
WO-2018065352-A1 ORGANIC PHOTODETECTOR MERCK PATENT GMBH (DE) 2018-04-12 — — WO disclosed
WO-2018065356-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 — — WO disclosed
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