SCHEMBL8807973

SCHEMBL8807973

CC(C)Cc1nc2c(Br)c(N)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
GSK3B P49841 1/20 0.34
CHEK1 O14757 1/20 0.34
CACNA1B Q00975 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
PTGES O14684 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1C Q13936 1/20 0.33
RPS6KA3 P51812 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
MMP12 P39900 2/20 0.32
PDE2A O00408 1/20 0.31
PDE1A P54750 1/20 0.31

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
SCHEMBL7032475 0.83 DDAH1 (0.42) KDM4EMAPTCHEK1CACNA1BNPC1
SCHEMBL8805598 0.80 KDM4E (0.40) KDM4EMAPTCHEK1NPC1ALDH1A1
SCHEMBL7036353 0.76 HSD17B10 (0.39) KDM4EMAPTCACNA1BNPC1ALDH1A1
SCHEMBL7575266 0.76 CACNA1H (0.44) KDM4EMAPTCHEK1CACNA1BNPC1
SCHEMBL7032565 0.74 PARP1 (0.42) KDM4EMAPTCACNA1BNPC1ALDH1A1
SCHEMBL6756153 0.73 KDM4E (0.44) KDM4EMAPTGSK3BCACNA1BNPC1
SCHEMBL8806547 0.70 ADRA2A (0.54) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7035577 0.70 L3MBTL1 (0.41) KDM4EMAPTCACNA1BNPC1ALDH1A1
SCHEMBL4105591 0.70 MGAM (0.46) KDM4EMAPTALDH1A1GAA
SCHEMBL1075769 0.69 TSHR (0.41) KDM4EMAPTGSK3BADORA3ADORA2A

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-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 WO disclosed