SCHEMBL16856525

SCHEMBL16856525

CSc1ccccc1-c1cccc2c(Br)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NISCH Q9Y2I1 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ PRNP P04156 1/20 0.35

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
SCHEMBL14951410 0.84 ALDH1A1 (0.44) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL9018825 0.80 PTPN1 (0.42) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL5890646 0.78 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL29306847 0.78 PARP1 (0.48) RXFP1ALDH1A1HKDC1PARP1PRNP
SCHEMBL31087243 0.78 KDM4E (0.52) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL19988641 0.74 HTT (0.48) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL890738 0.74 — —
SCHEMBL29682390 0.74 — —
SCHEMBL4179741 0.73 KDM4E (0.44) KDM4ELMNARXFP1IDO1ALDH1A1
SCHEMBL9996134 0.72 HTR7 (0.45) KDM4ELMNARXFP1IDO1ALDH1A1

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-2015093814-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-25 — — WO disclosed
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