SCHEMBL28019878

SCHEMBL28019878

CCCCCCCCCCCCc1ccccc1C1=CC2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ PTPN1 P18031 1/20 0.33
▸ BID P55957 3/20 0.33
▸ MCL1 Q07820 3/20 0.33
▸ BCL2L1 Q07817 2/20 0.33
▸ BAK1 Q16611 2/20 0.33
▸ KAT8 Q9H7Z6 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ KAT2A Q92830 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ KAT5 Q92993 1/20 0.33
▸ SAE1 Q9UBE0 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ HSD11B1 P28845 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CYSLTR2 Q9NS75 4/20 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
SCHEMBL27742194 0.99 NR1H2 (0.35) NR1H2NR1H3LIPGPTPN1BID
SCHEMBL28169162 0.81 PDE5A (0.39) —
SCHEMBL27827079 0.76 AKR1B1 (0.36) —
SCHEMBL27920246 0.75 ACHE (0.38) PTPN1
SCHEMBL27884483 0.75 ACHE (0.38) PTPN1
SCHEMBL28044445 0.75 ACHE (0.38) PTPN1
SCHEMBL27901578 0.75 ACHE (0.38) PTPN1
SCHEMBL28202582 0.75 HSD11B1 (0.31) PTPN1HSD11B1
SCHEMBL28301332 0.74 ACHE (0.36) —
SCHEMBL27529149 0.72 ACHE (0.35) —

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
CN-104718273-B Composition, equipment, system and method for clearing up excited electronic state 浩思特创新科技公司 2017-08-25 — — CN disclosed
CN-104718273-A Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP 2015-06-17 — — CN disclosed
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