SCHEMBL21387983

SCHEMBL21387983

Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc(S(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.33
LMNA P02545 5/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NR1I3 Q14994 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL25803050 0.91 MEN1 (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL21391634 0.89 L3MBTL1 (0.43) L3MBTL1RAB9ALMNAHPGDMAPT
SCHEMBL21337204 0.88 L3MBTL1 (0.38) CA12CA1CA2CA9L3MBTL1
SCHEMBL25803068 0.84 MAPT (0.33) L3MBTL1RAB9ALMNAHPGDMAPT
SCHEMBL25803049 0.81 MEN1 (0.44) CA12CA1CA2CA9L3MBTL1
SCHEMBL21391637 0.81 L3MBTL1 (0.41) L3MBTL1RAB9ALMNAHPGDMAPT
SCHEMBL25803018 0.80 NR1H4 (0.39) CA12CA1CA2CA9L3MBTL1
SCHEMBL21391674 0.79 MEN1 (0.45) L3MBTL1RAB9ALMNAHPGDMAPT
SCHEMBL26429105 0.78 CA1 (0.45) CA12CA1CA2CA9L3MBTL1
SCHEMBL24253173 0.78 NR1I3 (0.35) CA12CA1CA2CA9L3MBTL1

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
EP-3544076-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-09-25 EP disclosed