SCHEMBL25987359

SCHEMBL25987359

O=S1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)S(=O)(=O)c4ccccc4-5)n3)cc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
GPR35 Q9HC97 1/20 0.53
GPR3 P46089 1/20 0.52
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL25987158 0.98 CHEK1 (0.52) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987162 0.98 CHEK1 (0.52) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987361 0.95 CHEK1 (0.50) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987160 0.94 CHEK1 (0.49) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987362 0.94 CHEK1 (0.49) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL20222792 0.94 GPR3 (0.52) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL20222791 0.94 GPR3 (0.52) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25992362 0.92 GPR3 (0.47) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL20222713 0.92 GPR3 (0.50) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25991291 0.92 CHEK1 (0.45) CHEK1GPR35GPR3MEN1KMT2A

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
WO-2023152063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-17 WO disclosed