SCHEMBL4730191

SCHEMBL4730191

CC(O)n1ncc(/N=C/c2ccccc2)c1/N=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPT P10636 8/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
BLM P54132 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 4/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CA1 P00915 2/20 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
SCHEMBL4730194 0.72 GAA (0.41) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL4783086 0.68 MAPT (0.49) GAAMAPTALDH1A1KDM4ERAB9A
SCHEMBL5653946 0.68 KDM4E (0.48) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5653948 0.68 KDM4E (0.48) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL5078683 0.67 LMNA (0.55) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL5078680 0.67 LMNA (0.55) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL14524455 0.67 LMNA (0.55) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL1870853 0.65 LMNA (0.59) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL12633216 0.65 LMNA (0.59) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL1710167 0.65 LMNA (0.59) GAAMAPTALDH1A1KDM4ELMNA

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
WO-2008047210-A2 COMPOUNDS DERIVED FROM 1 -ETHYL-4,5-DIAMINO-PYRAZOLE AND THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES KEMON S.P.A. (IT) 2008-04-24 WO disclosed