SCHEMBL24517442

SCHEMBL24517442

Bc1c(O)c(O)c(O)c2c(O)c(O)c(-c3c(C)ccc4ccccc34)c(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NSD2 O96028 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ GLO1 Q04760 1/20 0.33

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
SCHEMBL24517441 0.82 TSHR (0.38) TSHRCYP1A2CYP2A6PTPN22MAPT
SCHEMBL26500488 0.76 NQO1 (0.31) —
SCHEMBL29352216 0.74 TSHR (0.65) TSHRCYP1A2CYP2A6MAPTALDH1A1
SCHEMBL2951616 0.74 TSHR (0.65) TSHRCYP1A2CYP2A6MAPTALDH1A1
Lithium SCHEMBL30066819 0.72 TSHR (0.62) TSHRCYP1A2CYP2A6MAPTALDH1A1
SCHEMBL5025765 0.71 CYP1A2 (0.52) TSHRCYP1A2CYP2A6PTPN22MAPT
SCHEMBL26503103 0.71 CYP1A2 (0.33) TSHRCYP1A2CYP2A6MAPTALDH1A1
SCHEMBL1451563 0.70 TSHR (0.60) TSHRCYP1A2CYP2A6MAPTALDH1A1
SCHEMBL8509086 0.69 TSHR (0.54) TSHRCYP1A2CYP2A6MAPTALDH1A1
SCHEMBL249793 0.68 CYP1A2 (0.48) TSHRCYP1A2CYP2A6PTPN22MAPT

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-2022124845-A1 ORGANIC LUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 솔루스첨단소재 주식회사 2022-06-16 — — WO disclosed
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