SCHEMBL25879233

SCHEMBL25879233

c1ccc(N(c2ccc3ccccc3c2)c2ccc3ccc4sc5ccccc5c4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.34
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ DUSP3 P51452 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAOA P21397 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
SCHEMBL25879227 0.94 GPR3 (0.38) GPR3NQO1NQO2MAPTTDP1
SCHEMBL25878923 0.94 CDK4 (0.32) GPR3NQO1NQO2MAPTTDP1
SCHEMBL15852633 0.93 NQO1 (0.34) GPR3NQO1NQO2MAPTTDP1
SCHEMBL25879237 0.92 CDK4 (0.34) GPR3NQO1NQO2MAPTTDP1
SCHEMBL24657865 0.92 NQO1 (0.36) GPR3NQO1NQO2MAPTTDP1
SCHEMBL25880063 0.92 NQO1 (0.36) GPR3NQO1NQO2MAPTTDP1
SCHEMBL25883167 0.92 GPR3 (0.40) GPR3NQO1NQO2MAPTTDP1
SCHEMBL25879235 0.91 CDK4 (0.33) GPR3NQO1NQO2CYP1A2
SCHEMBL24657035 0.91 NQO1 (0.36) GPR3NQO1NQO2MAPTTDP1
SCHEMBL25879149 0.90 F9 (0.36) —

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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