SCHEMBL25987362

SCHEMBL25987362

O=S1(=O)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.49
GPR35 Q9HC97 1/20 0.49
GPR3 P46089 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL25987160 1.00 CHEK1 (0.49) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987361 0.99 CHEK1 (0.50) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987434 0.96 CHEK1 (0.43) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987158 0.96 CHEK1 (0.52) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987162 0.96 CHEK1 (0.52) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL20222772 0.94 MEN1 (0.49) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25987359 0.94 CHEK1 (0.53) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25992362 0.93 GPR3 (0.47) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL20222770 0.93 MEN1 (0.50) CHEK1GPR35GPR3MEN1KMT2A
SCHEMBL25991363 0.93 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