SCHEMBL4073194

SCHEMBL4073194

COCCNC(=O)CN1C(=O)C(N)Cc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
AADAT Q8N5Z0 2/20 0.46
GOT1 P17174 1/20 0.46
KYAT1 Q16773 1/20 0.46
KYAT3 Q6YP21 1/20 0.46
THRB P10828 1/20 0.46
PYGL P06737 1/20 0.45
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44

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
SCHEMBL4073290 0.89 AADAT (0.48) KDM4EALDH1A1GAANPC1AADAT
SCHEMBL4073186 0.87 KDM4E (0.60) KDM4EALDH1A1GAAMAPK1KMT2A
SCHEMBL4067888 0.86 PYGL (0.54) KDM4EALDH1A1GAAMAPK1TSHR
SCHEMBL4066129 0.84 AADAT (0.46) KDM4EALDH1A1GAAMAPK1TSHR
SCHEMBL4065939 0.82 AADAT (0.54) KMT2AAADATGOT1KYAT1KYAT3
SCHEMBL4064369 0.82 AADAT (0.54) KMT2AAADATGOT1KYAT1KYAT3
SCHEMBL4064371 0.82 AADAT (0.54) KMT2AAADATGOT1KYAT1KYAT3
Hydrochloric Acid SCHEMBL4802376 0.81 AADAT (0.52) KMT2AAADATGOT1KYAT1KYAT3
Hydrochloric Acid SCHEMBL4802360 0.81 AADAT (0.52) KMT2AAADATGOT1KYAT1KYAT3
SCHEMBL5628897 0.80 AADAT (0.52) KDM4EALDH1A1GAAAADATGOT1

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-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed