SCHEMBL10695311

SCHEMBL10695311

N#Cc1nc(-c2ccc(C(=O)O)cc2)[nH]c1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
KMT2A Q03164 4/20 0.48
PARP1 P09874 1/20 0.46
GLA P06280 3/20 0.45
GAA P10253 3/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MEN1 O00255 2/20 0.43
ADORA2A P29274 3/20 0.42
ADORA2B P29275 3/20 0.42
ADORA1 P30542 1/20 0.42
NR4A2 P43354 1/20 0.42
MAPK13 O15264 1/20 0.41
ALOX5 P09917 1/20 0.41
TGFBR1 P36897 1/20 0.41
MAPK12 P53778 1/20 0.41

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
SCHEMBL28505674 0.84 HPGD (0.38) KDM4EALDH1A1HPGDKMT2AGLA
SCHEMBL10695212 0.81 PARP1 (0.52) KDM4EALDH1A1HPGDKMT2APARP1
SCHEMBL28533254 0.81 MMP3 (0.41) ALDH1A1HPGDPARP1GAAMAPK13
SCHEMBL7074324 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APARP1GAA
SCHEMBL18402405 0.79 RHEB (0.49) PARP1MAPK13ALOX5MAPK12MAPK11
SCHEMBL10696417 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HPGDKMT2APARP1
SCHEMBL10697291 0.78 ERBB2 (0.47) KDM4EALDH1A1HPGDPARP1GAA
SCHEMBL10697336 0.78 ERBB2 (0.47) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL10696735 0.78 ERBB2 (0.47) ALDH1A1PARP1MMP2MMP9MMP8
SCHEMBL10695576 0.78 ERBB2 (0.47) KDM4EALDH1A1HPGDKMT2APARP1

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