SCHEMBL10694330

SCHEMBL10694330

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
TP53 P04637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DHODH Q02127 2/20 0.49
PARP1 P09874 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADORA2B P29275 2/20 0.46
PGR P06401 1/20 0.45
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 2/20 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
SCHEMBL10694945 0.83 DHODH (0.55) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL10695311 0.77 KDM4E (0.48) KDM4EALDH1A1HPGDPARP1MEN1
SCHEMBL10697291 0.76 ERBB2 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL18402405 0.75 RHEB (0.49) PARP1
SCHEMBL10697336 0.73 ERBB2 (0.47) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10696735 0.73 ERBB2 (0.47) ALDH1A1TP53PARP1ADORA2BMAPT
SCHEMBL10696417 0.73 ALDH1A1 (0.44) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL10695576 0.73 ERBB2 (0.47) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL7074324 0.73 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL10696383 0.73 HPGD (0.50) KDM4EALDH1A1HPGDTP53HSD17B10

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