SCHEMBL27946136

SCHEMBL27946136

BrC(Br)c1ccc(-c2ccccc2)c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
AGT P01019 2/20 0.33
TSHR P16473 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL31050109 0.89 AGTR1 (0.43) AGTR1AGTR2AGTALDH1A1
SCHEMBL8698703 0.83 AGTR1 (0.47) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL2053236 0.82 AGTR1 (0.44) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL29931122 0.81 AGTR1 (0.44) AGTR1AGTR2AGTALDH1A1POLB
SCHEMBL27586872 0.81 AGTR1 (0.44) AGTR1AGTR2AGTALDH1A1POLB
SCHEMBL29931185 0.81 AGTR1 (0.44) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL588221 0.81 AGTR1 (0.44) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL27873329 0.79 AGTR1 (0.44) AGTR1AGTR2AGTALDH1A1POLB
SCHEMBL27531698 0.78 AGTR1 (0.40) AGTR1AGTR2AGTTSHRALDH1A1
SCHEMBL27631745 0.78 AGTR1 (0.44) AGTR1AGTR2AGTALDH1A1POLB

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-101768035-B Method for preparing and recovering aromatic methyl diphenyl compound ZHEJIANG HUAHAI PHARM CO LTD 2013-11-27 CN disclosed