SCHEMBL8744764

SCHEMBL8744764

N#Cc1nc(-c2cccc(Br)c2)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
IDO1 P14902 2/20 0.45
METAP2 P50579 1/20 0.45
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 5/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MPI P34949 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL8744752 0.81 ERBB2 (0.41) METAP2ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL7432291 0.81 ADORA2A (0.41) CTSKALDH1A1RAB9AHPGDMAPT
SCHEMBL8744690 0.81 KDM4E (0.49) CTSSCTSKIDO1ALDH1A1KDM4E
SCHEMBL8744753 0.81 CTSS (0.49) CTSSCTSKIDO1METAP2RAB9A
SCHEMBL8744832 0.78 MCL1 (0.42) ALDH1A1RAB9AHPGDMAPTKDM4E
SCHEMBL8744699 0.77 CTSS (0.61) CTSSCTSKIDO1ALDH1A1KDM4E
SCHEMBL8744714 0.77 CTSS (0.54) CTSSCTSKIDO1
SCHEMBL1399849 0.75 ALDH1A1 (0.56) IDO1METAP2ALDH1A1RAB9AHPGD
SCHEMBL15676687 0.75 IDO1 (0.49) CTSSCTSKIDO1METAP2ALDH1A1
SCHEMBL7141828 0.73 SMN1; SMN2 (0.55) IDO1METAP2ALDH1A1RAB9AHPGD

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