SCHEMBL8744748

SCHEMBL8744748

N#Cc1nc(-c2ccccc2Br)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.38
MAPK1 P28482 4/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MPI P34949 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DYRK1A Q13627 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
PBRM1 Q86U86 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL31218523 0.81 TRPA1 (0.40) DYRK1ACHUKATR
SCHEMBL8744696 0.80 L3MBTL1 (0.46) IDO1HSD17B10LMNADCUN1D1ALDH1A1
SCHEMBL8744776 0.80 LRRK2 (0.43) IDO1HSD17B10LMNAMAPK1DCUN1D1
SCHEMBL8744697 0.76 TRPA1 (0.37) GAAL3MBTL1KMT2ARAB9AATR
SCHEMBL8744737 0.76 CTSK (0.47) C1R
SCHEMBL7432291 0.75 ADORA2A (0.41) HSD17B10LMNAMAPK1ALDH1A1HPGD
SCHEMBL9876453 0.75 ALDH1A1 (0.46) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL8744801 0.74 NUDT1 (0.38)
SCHEMBL19029698 0.74 IDO1 (0.44) IDO1HSD17B10LMNAMAPK1DCUN1D1
SCHEMBL8744832 0.72 MCL1 (0.42) MAPK1ALDH1A1HPGDMAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed