Valine

Valine

SCHEMBL9877455

CC(C)[C@H](N)C(=O)O.NC(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 12/20 0.53
PARP10 Q53GL7 10/20 0.53
PARP15 Q460N3 5/20 0.51
PARP14 Q460N5 4/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
CASR P41180 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 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
Valine SCHEMBL8359782 0.85 SLC7A5 (0.54) PARP1PARP10PARP15PARP14POLB
SCHEMBL2850002 0.83 MEN1 (0.67) PARP1PARP10PARP15PARP14MEN1
SCHEMBL12545738 0.76 PARP1 (0.60) PARP1PARP10PARP15PARP14MEN1
SCHEMBL30668647 0.76 PARP1 (0.60) PARP1PARP10PARP15PARP14MEN1
SCHEMBL4795890 0.75 KMT2A (0.66) MEN1KMT2APOLBMAPTNPC1
SCHEMBL4893340 0.75 PARP1 (0.66) PARP1PARP10PARP15PARP14MEN1
SCHEMBL5210059 0.75 KMT2A (0.62) MEN1KMT2ACASRMAPTGAA
SCHEMBL27999432 0.75 PARP1 (0.50) PARP1PARP10PARP15PARP14MEN1
SCHEMBL895009 0.74 PARP1 (0.63) PARP1PARP10PARP15PARP14MEN1
Urea SCHEMBL307661 0.74 KMT2A (0.60) MEN1KMT2ACASRMAPTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017211-A Herbicides CIBA-GEIGY CORPORATION (US) 1991-05-21 US disclosed
EP-0333791-A1 HETEROCYCLIC COMPOUNDS CIBA-GEIGY AG (CH) 1989-09-27 EP disclosed
WO-1989002891-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1989-04-06 WO disclosed