SCHEMBL31442543

SCHEMBL31442543

O=S(=O)(NCc1ccccc1)Nc1ncnc(Cl)c1-c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.64
EDNRB P24530 17/20 0.64
SLC6A2 P23975 1/20 0.44
TSPO P30536 1/20 0.44
DRD3 P35462 1/20 0.44
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL14380566 1.00 EDNRA (0.64) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380571 0.92 EDNRB (0.58) EDNRAEDNRBCA12CA2CA7
SCHEMBL5631309 0.91 EDNRA (0.63) EDNRAEDNRBCA12CA2CA7
SCHEMBL14380562 0.89 EDNRA (0.61) EDNRAEDNRBCA12CA2CA7
SCHEMBL14380560 0.88 EDNRA (0.62) EDNRAEDNRBCA12CA2CA7
SCHEMBL14380618 0.83 EDNRA (0.62) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1001936 0.83 EDNRA (0.51) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL9891391 0.82 EDNRB (0.79) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL16371661 0.81 EDNRA (0.63) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL9891392 0.79 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3

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-119504609-A Alpraxitans an intermediate compound of (C) Alpraxitans and preparation method thereof 成都启晟合研医药科技有限公司 2025-02-25 CN disclosed