Valine

Valine

SCHEMBL10695541

CC(C)[C@H](N)C(=O)O.N#Cc1[nH]c(-c2ccccc2F)nc1C(N)=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.45
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
PLA2G1B P04054 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHR2 Q13324 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 2/20 0.34
KLKB1 P03952 1/20 0.34
F7 P08709 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
SCHEMBL10694425 0.88 PARP1 (0.54) SLC9A1PARP1ALDH1A1NPC1PKM
SCHEMBL10694398 0.76 SLC9A1 (0.54) SLC9A1PARP1ALDH1A1LMNANPC1
SCHEMBL10695611 0.74 PARP1 (0.54) SLC9A1PARP1ALDH1A1NPC1RAB9A
SCHEMBL10695586 0.73 PARP1 (0.57) SLC9A1PARP1LGMN
SCHEMBL11470139 0.70 SLC9A1 (0.56) SLC9A1PARP1ALDH1A1NPC1PKM
SCHEMBL10695803 0.68 CHEK2 (0.47) PARP1ALDH1A1LMNANPC1RAB9A
SCHEMBL10697442 0.67 ALDH1A1 (0.49) PARP1ALDH1A1POLBMAPTNPC1
SCHEMBL10697513 0.67 PIN1 (0.55) SLC9A1PARP1LRRK2DHODHMGAM
SCHEMBL3559177 0.66 CHEK2 (0.57) DHODH
SCHEMBL10695212 0.65 PARP1 (0.52) PARP1ALDH1A1MAPK1GAA

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-0269238-A1 Imidazoles and their compositions for plant growth regulation MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed