SCHEMBL27397367

SCHEMBL27397367

N#Cc1ccc(N=C(c2ccccc2)c2ccccc2)c(CCBr)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
HSD11B1 P28845 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
MAOA P21397 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
SCHEMBL7420669 0.89 GSK3B (0.40) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL12968160 0.85 L3MBTL1 (0.36) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL15188909 0.76 KMT2A (0.38) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL7428081 0.76 ESR2 (0.45) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL28454906 0.74 F2 (0.38) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL27572839 0.73 TDP1 (0.36) GSK3BL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL27525400 0.73 TDP1 (0.36) GSK3BL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL12958709 0.69 GSK3B (0.35) GSK3BL3MBTL1F2PLGPLAU
SCHEMBL7929205 0.69 USP28 (0.34) L3MBTL1NPC1RAB9AALDH1A1MAPT
SCHEMBL27455430 0.68 GSK3B (0.39) GSK3BKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093856-C Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds AVENTIS PHARM PROD INC (US) 2002-11-06 CN disclosed
CN-1190395-A Substituted (sulfonic, sulfinic, sulfonamido or sulfonamido) N- [ aminoiminomethyl) phenylalkyl ] -azaheterocyclic amide compounds RHONE POULENC RORER PHARMA (US) 1998-08-12 CN disclosed