SCHEMBL29366164

SCHEMBL29366164

BrCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DCUN1D1 Q96GG9 2/20 0.33
DCUN1D2 Q6PH85 1/20 0.33
GP6 Q9HCN6 1/20 0.32
AGTR1 P30556 4/20 0.31
AGTR2 P50052 4/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL3376281 1.00 TRPA1 (0.35) TRPA1ALDH1A1TSHRDCUN1D1DCUN1D2
SCHEMBL6961815 0.88 TDP1 (0.39) DCUN1D1DCUN1D2GP6AGTR1AGTR2
SCHEMBL1773521 0.86 FYN (0.39) TSHRDCUN1D1DCUN1D2AGTR1AGTR2
SCHEMBL6955274 0.85 GP6 (0.34) TSHRDCUN1D1DCUN1D2GP6AGTR1
SCHEMBL6962635 0.84 AKT1 (0.36) DCUN1D1DCUN1D2GP6AGTR1AGTR2
SCHEMBL6955822 0.84 TP53 (0.41) AGTR1AGTR2
SCHEMBL1132111 0.84 TAAR1 (0.43) ALDH1A1
SCHEMBL21034528 0.84 DCUN1D1 (0.33) DCUN1D1DCUN1D2GP6AGTR1AGTR2
SCHEMBL6957576 0.84 GP6 (0.36) GP6AGTR1AGTR2
SCHEMBL8674236 0.84 FOLH1 (0.33) TRPA1ALDH1A1TSHRDCUN1D1DCUN1D2

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
CN-113993851-B Valsartan refining method 浙江华海药业股份有限公司 2024-02-09 CN disclosed
CN-113727976-B Refining method of valsartan compound 浙江华海药业股份有限公司 2023-07-21 CN disclosed
CN-113993851-A Valsartan refining method 浙江华海药业股份有限公司 2022-01-28 CN disclosed