SCHEMBL22011582

SCHEMBL22011582

c1ccc(-c2nc(-n3c4ccccc4c4c5oc6ccccc6c5c5c(ccc6oc7ccccc7c65)c43)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CSF1R P07333 1/20 0.32
PDGFRB P09619 1/20 0.32
MAPT P10636 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGER1 P34995 1/20 0.30

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
SCHEMBL22011573 0.94
SCHEMBL24171787 0.93 MEN1 (0.32) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL22011576 0.89 MAPT (0.36) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL19986142 0.89 MAPT (0.33) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL22011583 0.89 SIRT2 (0.30)
SCHEMBL22011452 0.88 HPGD (0.40) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL19986143 0.88 MEN1 (0.32) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL18132431 0.87 MAPT (0.34) MEN1CSF1RPDGFRBMAPTKIT
SCHEMBL18621406 0.87 SIRT2 (0.32) TDP1L3MBTL1
SCHEMBL22011553 0.87 HPGD (0.39) MEN1CSF1RPDGFRBMAPTKIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 WO disclosed