SCHEMBL10697175

SCHEMBL10697175

N#Cc1nc(-c2cccc(Br)c2)[nH]c1C#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MPI P34949 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH1 P35367 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL10694148 0.83 MGAM (0.47) HPGDGAAKDM4ERXFP1MAPK13
SCHEMBL10695348 0.83 GAA (0.47) ALDH1A1HPGDGAAALOX15MPI
SCHEMBL10696735 0.82 ERBB2 (0.47) ALDH1A1MAPK13GCGRMAPK12MAPK11
SCHEMBL7074324 0.82 ALDH1A1 (0.49) ALDH1A1HPGDGAASMN1; SMN2RXFP1
SCHEMBL10694557 0.80 HPGD (0.53) DCUN1D1ALDH1A1HPGDGAAKDM4E
SCHEMBL10696406 0.79 PIN1 (0.45) DCUN1D1ALDH1A1HPGDGAAALOX15
SCHEMBL10696460 0.77 MAPT (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10696178 0.75 ALOX15 (0.45) HPGDALOX15HRH1MAPK13MAPK12
SCHEMBL16661580 0.75 NPY5R (0.49) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL12075544 0.75 ALDH1A1 (0.42) ALDH1A1GAARAB9AMEN1KMT2A

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