SCHEMBL5326419

SCHEMBL5326419

N#Cc1ccc(-c2[c]cccc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.44
TRPV4 Q9HBA0 1/20 0.43
EGLN2 Q96KS0 1/20 0.41
CYP11B1 P15538 4/20 0.40
AR P10275 4/20 0.39
CASP1 P29466 1/20 0.38
SLC22A12 Q96S37 3/20 0.38
S1PR3 Q99500 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL5327982 0.81 CYP11B2 (0.50) CYP11B2TRPV4EGLN2CYP11B1
SCHEMBL7406019 0.79 AHR (0.50) TDP1IDO1
SCHEMBL5330919 0.77 CNR2 (0.44) CYP11B2CYP11B1AR
SCHEMBL5326735 0.77 ALDH1A1 (0.47) ARALDH1A1
SCHEMBL7815866 0.77 AHR (0.43) TDP1IDO1
SCHEMBL21084000 0.75 CYP11B2 (0.56) CYP11B2TRPV4EGLN2CYP11B1AR
SCHEMBL4831885 0.75 PTGS2 (0.42) CASP1
SCHEMBL11516915 0.75 CYP3A4 (0.53) CASP1ALDH1A1TDP1
SCHEMBL5326424 0.74 CYP11B2 (0.54) CYP11B2TRPV4EGLN2CYP11B1AR
SCHEMBL2465105 0.72 TSHR (0.44) CYP11B2ARALDH1A1

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