SCHEMBL9848598

SCHEMBL9848598

CN(C)C=Nc1c(Cl)cc(C(=O)C#N)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 7/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 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
SCHEMBL9848597 1.00 KMT2A (0.38) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL9848563 0.81 KMT2A (0.42) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL9848559 0.81 KMT2A (0.42) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL7278738 0.77 KMT2A (0.35) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL7278732 0.77 KMT2A (0.35) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL9238889 0.76 KMT2A (0.34) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL9238883 0.76 KMT2A (0.34) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL9240921 0.74 KMT2A (0.35) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL9240917 0.74 KMT2A (0.35) KMT2ANPSR1MAPTTSHRMAPK1
SCHEMBL7273016 0.72 KMT2A (0.40) KMT2ANPSR1MAPTMAPK1ALDH1A1

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-0459829-A1 Pharmacologically active CNS compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-04 EP disclosed