SCHEMBL25879378

SCHEMBL25879378

c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.33
▸ F9 P00740 2/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ APP P05067 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ CTDSP1 Q9GZU7 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
SCHEMBL25880054 1.00 GPR3 (0.33) GPR3F9NQO1NQO2MAPT
SCHEMBL25879443 0.99 GPR3 (0.34) GPR3F9NQO1NQO2MAPT
SCHEMBL25608222 0.99 GPR3 (0.34) GPR3F9NQO1NQO2MAPT
SCHEMBL24275098 0.96 ERBB2 (0.31) GPR3F9NQO1NQO2MAPT
SCHEMBL25879445 0.96 F9 (0.33) GPR3F9NQO1NQO2MAPT
SCHEMBL25879731 0.96 F9 (0.33) GPR3F9NQO1NQO2MAPT
SCHEMBL25879915 0.96 F9 (0.33) GPR3F9NQO1NQO2MAPT
SCHEMBL25879522 0.96 F9 (0.33) GPR3F9NQO1NQO2MAPT
SCHEMBL25879526 0.96 F9 (0.33) GPR3F9NQO1NQO2MAPT
SCHEMBL21883450 0.95 ERBB2 (0.32) GPR3F9NQO1NQO2MAPT

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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