SCHEMBL24385864

SCHEMBL24385864

C=C1N=C(Cl)C=C(N2CCOCC2)N1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL912707 0.61 POLB (0.35) KMT2AMEN1ALOX15HTTNPSR1
SCHEMBL28091427 0.59 KMT2A (0.36) KMT2AMEN1ALOX15HTTNPSR1
SCHEMBL16117369 0.57 SMN1; SMN2 (0.48) KMT2AMEN1NPSR1MAPTSMN1; SMN2
SCHEMBL19027031 0.56 MAPT (0.35) KMT2AMEN1ALOX15HTTNPSR1
SCHEMBL3996473 0.54 MAPT (0.56) KMT2AMEN1ALOX15HTTMAPT
SCHEMBL17204101 0.54 MAPT (0.61) KMT2AMEN1HTTNPSR1MAPT
SCHEMBL17673774 0.54 MAPT (0.56) KMT2AMEN1HTTNPSR1MAPT
SCHEMBL1735480 0.54 CNR2 (0.55) KMT2AMEN1ALOX15HTTMAPT
SCHEMBL29465738 0.54 MAPT (0.43) KMT2AMEN1ALOX15HTTNPSR1
SCHEMBL856718 0.54 MAPT (0.61) KMT2AMEN1HTTNPSR1MAPT

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-3239135-B1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-05-04 — — EP disclosed
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