SCHEMBL25147296

SCHEMBL25147296

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc3oc4cc5c6ccccc6n(-c6ccccc6)c5cc4c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CHEK2 O96017 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL19247408 0.93 SMN1; SMN2 (0.35) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL19246482 0.93 SMN1; SMN2 (0.35) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL25147299 0.92 SMN1; SMN2 (0.38) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL20029870 0.91 SMN1; SMN2 (0.36) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL19246494 0.91 SMN1; SMN2 (0.35) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL20030036 0.91 ATM (0.37) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL24388302 0.91 L3MBTL1 (0.37) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL20714947 0.91 SMN1; SMN2 (0.36) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL18273483 0.90 SMN1; SMN2 (0.41) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2
SCHEMBL19247328 0.89 SMN1; SMN2 (0.35) SMN1; SMN2LMNANPSR1ALDH1A1CYP1A2

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-2023061998-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-20 WO disclosed