SCHEMBL25987308

SCHEMBL25987308

O=S1(=O)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 2/20 0.46
RUNX1 Q01196 1/20 0.46
CBFB Q13951 1/20 0.46
USP2 O75604 1/20 0.46
CHEK1 O14757 2/20 0.43
GPR35 Q9HC97 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 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
SCHEMBL25987360 0.98 GPR3 (0.52) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL25349286 0.97 GPR3 (0.50) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL25990393 0.94 GPR3 (0.47) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL20222713 0.94 GPR3 (0.50) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL25987309 0.94 MEN1 (0.42) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL20222792 0.92 GPR3 (0.52) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL20222791 0.92 GPR3 (0.52) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL21305063 0.91 GPR3 (0.47) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL25987403 0.91 CHEK1 (0.44) GPR3MAPTALDH1A1KDM4EMEN1
SCHEMBL25987162 0.91 CHEK1 (0.52) GPR3MAPTALDH1A1KDM4EMEN1

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