SCHEMBL5327702

SCHEMBL5327702

COc1ccc(C#N)cc1-c1cc[c]cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.58
AR P10275 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PLAU P00749 1/20 0.44
NR3C2 P08235 1/20 0.43
TNIK Q9UKE5 4/20 0.41
KCNH2 Q12809 1/20 0.39
CTSA P10619 1/20 0.39
USP30 Q70CQ3 1/20 0.39
RORC P51449 1/20 0.39
SLC6A4 P31645 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL16429066 0.85 PTGDR2 (0.60) KDM1AARPTGDR2MAOAMAOB
SCHEMBL29788111 0.85 PTGDR2 (0.60) KDM1AARPTGDR2MAOAMAOB
SCHEMBL11616908 0.84 KDM1A (0.56) KDM1AARPTGDR2PLAUTNIK
SCHEMBL13370824 0.82 KDM1A (0.60) KDM1AARPTGDR2MAOAMAOB
SCHEMBL21180018 0.80 KDM1A (0.58) KDM1AARPTGDR2MAOAMAOB
SCHEMBL21599450 0.80 KDM1A (0.58) KDM1AARPTGDR2MAOAMAOB
SCHEMBL16894230 0.78 KDM1A (0.56) KDM1AARPTGDR2PLAUNR3C2
SCHEMBL2753744 0.77 CA12 (0.50)
SCHEMBL20924264 0.77 KDM1A (0.70) KDM1AARPTGDR2MAOAMAOB
SCHEMBL2037082 0.77 KDM1A (0.55) KDM1APTGDR2CTSA

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