SCHEMBL21766547

SCHEMBL21766547

c1ccc(S(c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3Nc3cccc4c3oc3ccccc34)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.52
ALOX5 P09917 2/20 0.43
GGPS1 O95749 1/20 0.38
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PRKDC P78527 4/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ATM Q13315 1/20 0.33
CDC25B P30305 1/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK2 P24941 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
SCHEMBL4080117 0.86 ALOX5 (0.46) PTGES2ALOX5GGPS1ALDH1A1SMN1; SMN2
SCHEMBL21766549 0.81 PTGES2 (0.41) PTGES2ALOX5ALDH1A1SMN1; SMN2LMNA
SCHEMBL21766544 0.81 ALOX5 (0.43) PTGES2ALOX5GGPS1ALDH1A1SMN1; SMN2
SCHEMBL16185358 0.77 ALOX5 (0.44) PTGES2ALOX5GGPS1ALDH1A1SMN1; SMN2
SCHEMBL4090324 0.77 ALDH1A1 (0.47) PTGES2ALOX5ALDH1A1SMN1; SMN2LMNA
SCHEMBL21766564 0.75 ALOX5 (0.42) PTGES2ALOX5GGPS1ALDH1A1SMN1; SMN2
SCHEMBL26006845 0.75 ALOX5 (0.42) PTGES2ALOX5GGPS1ALDH1A1SMN1; SMN2
SCHEMBL24742126 0.75 ALOX5 (0.41) PTGES2ALOX5GGPS1ALDH1A1SMN1; SMN2
SCHEMBL16632767 0.74 FABP3 (0.46) PTGES2ALOX5ALDH1A1SMN1; SMN2LMNA
SCHEMBL20317138 0.74 ALOX5 (0.53) PTGES2ALOX5GGPS1ALDH1A1LMNA

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-2020040585-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2020-02-27 WO disclosed