SCHEMBL31069898

SCHEMBL31069898

O=c1nc(-c2ccccc2-c2ccc(CBr)cc2)[nH]o1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.33
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ELANE P08246 1/20 0.31
DCUN1D2 Q6PH85 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
SCHEMBL9284864 0.86 DCUN1D1 (0.33) DCUN1D1LTB4R2DCUN1D2
SCHEMBL18069704 0.86 NOTUM (0.39) ALDH1A1LTB4R2
SCHEMBL16644715 0.81 RAB9A (0.40) DCUN1D1TSHR
SCHEMBL7435938 0.74 LTB4R2 (0.53) LTB4R2
SCHEMBL10892045 0.74 ALDH1A1 (0.57) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL1929460 0.73 AGTR1 (0.37)
SCHEMBL6994648 0.71 AGTR2 (0.47) LTB4R2
SCHEMBL9023806 0.70 ALDH1A1 (0.59) TRPA1ALDH1A1TSHRCES2CES1
SCHEMBL15807126 0.69 NOTUM (0.45) ALDH1A1
SCHEMBL3743781 0.69 BTK (0.44) DCUN1D1ALDH1A1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898287-B Preparation method of azilsartan 江苏中邦制药有限公司 2024-08-30 CN disclosed