SCHEMBL5327699

SCHEMBL5327699

COc1ccc(C#N)cc1-c1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.47
KDM1A O60341 2/20 0.44
LRRK2 Q5S007 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
STK10 O94804 2/20 0.37
SLK Q9H2G2 2/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
ACLY P53396 1/20 0.36
PLAU P00749 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL11616908 0.79 KDM1A (0.56) ARKDM1ALRRK2PTGDR2EGLN2
SCHEMBL5321804 0.78 HDAC4 (0.48) AR
SCHEMBL11513962 0.77 ALDH1A1 (0.40) IMPDH2IMPDH1
SCHEMBL5326536 0.77 ERN1 (0.40) LRRK2STK10SLK
SCHEMBL5329513 0.77 ALDH1A1 (0.44)
SCHEMBL29788111 0.76 PTGDR2 (0.60) ARKDM1APTGDR2MAOAMAOB
SCHEMBL16429066 0.76 PTGDR2 (0.60) ARKDM1APTGDR2MAOAMAOB
SCHEMBL336434 0.76 APP (0.47)
SCHEMBL5327702 0.75 KDM1A (0.58) ARKDM1APTGDR2MAOAMAOB
SCHEMBL6054816 0.75 HTR7 (0.43)

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
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed