SCHEMBL10694945

SCHEMBL10694945

CC(=O)Nc1ccc(-c2nc(C(N)=O)c(C#N)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.55
PARP1 P09874 5/20 0.55
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
TP53 P04637 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA2B P29275 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
XDH P47989 1/20 0.43
PGR P06401 1/20 0.42

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
SCHEMBL10694330 0.83 KDM4E (0.50) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL10695587 0.83 CHEK2 (0.48) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL10694134 0.81 PARP1 (0.50) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL10695803 0.80 CHEK2 (0.47) PARP1KDM4EALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL10695451 0.80 PARP1 (0.49) DHODHPARP1KDM4EALDH1A1HPGD
SCHEMBL10695465 0.80 PARP1 (0.43) DHODHPARP1
SCHEMBL10694623 0.80 PARP1 (0.51) PARP1MEN1KMT2A
SCHEMBL10696164 0.80 PARP1 (0.54) PARP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10695184 0.80 PARP1 (0.54) PARP1KDM4ENPC1RAB9AADORA2B
SCHEMBL10695212 0.79 PARP1 (0.52) PARP1KDM4EALDH1A1HPGDMEN1

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