SCHEMBL5326424

SCHEMBL5326424

N#Cc1ccc(-c2cc[c]cc2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.54
TRPV4 Q9HBA0 1/20 0.50
CYP11B1 P15538 6/20 0.48
CASP1 P29466 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
AR P10275 5/20 0.39
IDO1 P14902 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
AHR P35869 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
SCHEMBL21084000 0.82 CYP11B2 (0.56) CYP11B2TRPV4CYP11B1EGLN2AR
SCHEMBL2751204 0.82 ALDH1A1 (0.43) CYP11B2CYP11B1ARESR1ESR2
SCHEMBL25299104 0.81 CYP11B2 (0.63) CYP11B2TRPV4CYP11B1CASP1AR
SCHEMBL30510168 0.81 CYP11B2 (0.63) CYP11B2TRPV4CYP11B1CASP1AR
SCHEMBL7280930 0.81 CYP11B2 (0.54) CYP11B2TRPV4CYP11B1CASP1EGLN2
SCHEMBL533972 0.77 AHR (0.67) ESR2AHR
SCHEMBL5327983 0.77 CYP11B2 (0.58) CYP11B2TRPV4CYP11B1
SCHEMBL18666733 0.77 CYP11B2 (0.50) CYP11B2TRPV4CYP11B1CASP1EGLN2
Methane SCHEMBL8006386 0.75 AHR (0.64) ESR2AHR
Hydrochloric Acid SCHEMBL8019894 0.75 AHR (0.64) ESR2AHR

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-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 disclosed