SCHEMBL8427635

SCHEMBL8427635

CCc1ccccc1N.CCc1ccccc1N/C=C1/C(=O)N(c2cccc(C#N)c2)N=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.38
MEN1 O00255 6/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MAPT P10636 8/20 0.36
MAPK1 P28482 6/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KAT8 Q9H7Z6 1/20 0.35
SIRT5 Q9NXA8 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8427636 1.00 KMT2A (0.38) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL8015141 0.95 KMT2A (0.41) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL6947996 0.95 KMT2A (0.41) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL8424092 0.84 KMT2A (0.38) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL8424088 0.84 KMT2A (0.38) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL8425246 0.82 L3MBTL1 (0.49) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL8425249 0.82 L3MBTL1 (0.49) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL27370623 0.81 NSD2 (0.38) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL7073258 0.80 KMT2A (0.45) KMT2AMEN1GAAKDM4EMAPT
SCHEMBL7073259 0.80 KMT2A (0.45) KMT2AMEN1GAAKDM4EMAPT

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
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed