SCHEMBL21496244

SCHEMBL21496244

CCCCCCCCn1c(=O)ccc2c1cc(-c1ccc(Br)s1)c(=O)n2CCCCCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORA P35398 4/20 0.36
▸ RORC P51449 4/20 0.36
▸ RORB Q92753 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PGR P06401 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ HPGD P15428 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL21501987 0.93 KDM4E (0.38) RORARORCRORBMAPTJAK2
SCHEMBL31651426 0.86 PTGER4 (0.35) RORARORCRORBMAPTJAK2
SCHEMBL21496404 0.79 APP (0.42) RORARORCRORBMAPTKDM4E
SCHEMBL21993649 0.78 KDM4E (0.39) RORARORCRORBMAPTKMT2A
SCHEMBL19239980 0.77 TLR8 (0.36) RORARORCRORBMAPTKMT2A
SCHEMBL16736469 0.75 ALDH1A1 (0.49) RORARORCRORBMAPTNPSR1
SCHEMBL16736452 0.75 ALDH1A1 (0.49) RORARORCRORBMAPTNPSR1
SCHEMBL21496246 0.75 ALDH1A1 (0.49) RORARORCRORBMAPTNPSR1
SCHEMBL21496408 0.75 HTT (0.41) RORARORCRORBMAPTNPSR1
SCHEMBL21501954 0.74 KDM4E (0.45) RORARORCRORBMAPTKMT2A

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-2019203481-A1 PHOSPHOR MONOMOLECULAR COMPOUND, ORGANIC TRANSISTOR USING SAME, AND WATER DECOMPOSITION AND HYDROGEN PRODUCTION PHOTOCATALYTIC SYSTEM USING SAME 서울대학교 산학협력단 2019-10-24 — — WO disclosed
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