SCHEMBL4073290

SCHEMBL4073290

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.48
KYAT1 Q16773 2/20 0.48
KYAT3 Q6YP21 2/20 0.48
GOT1 P17174 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
F2 P00734 3/20 0.40
PYGL P06737 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40

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
SCHEMBL4073194 0.89 KDM4E (0.62) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL4064369 0.84 AADAT (0.54) AADATKYAT1KYAT3GOT1POLB
SCHEMBL4064371 0.84 AADAT (0.54) AADATKYAT1KYAT3GOT1POLB
SCHEMBL4065939 0.84 AADAT (0.54) AADATKYAT1KYAT3GOT1POLB
SCHEMBL4067888 0.83 PYGL (0.54) AADATKYAT1KYAT3GOT1KDM4E
Hydrochloric Acid SCHEMBL4802376 0.83 AADAT (0.52) AADATKYAT1KYAT3GOT1POLB
Hydrochloric Acid SCHEMBL4802360 0.83 AADAT (0.52) AADATKYAT1KYAT3GOT1POLB
SCHEMBL4066129 0.82 AADAT (0.46) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL27542522 0.79 AADAT (0.55) AADATKYAT1KYAT3GOT1
SCHEMBL4891481 0.79 AADAT (0.59) AADATKYAT1KYAT3GOT1PYGL

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