SCHEMBL21177976

SCHEMBL21177976

Brc1cccc2c1oc1c(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cccc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ PRKDC P78527 4/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 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
SCHEMBL17997312 0.88 ALOX5 (0.41) ALOX5PRKDCPTGES2KDM4EMEN1
SCHEMBL17997063 0.88 ALOX5 (0.41) ALOX5PRKDCPTGES2KDM4EMEN1
SCHEMBL21177977 0.88 ALOX5 (0.35) ALOX5PRKDCPTGES2KDM4EMEN1
SCHEMBL17997313 0.87 ALOX5 (0.40) ALOX5PRKDCKDM4EMEN1ALDH1A1
SCHEMBL17997212 0.86 PRKDC (0.42) ALOX5PRKDCKDM4EALDH1A1
SCHEMBL30462988 0.85 ALDH1A1 (0.39) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL20363891 0.85 ALDH1A1 (0.39) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL30989564 0.85 ALDH1A1 (0.39) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL17997215 0.84 ALOX5 (0.38) ALOX5PRKDCKDM4EMEN1ALDH1A1
SCHEMBL17997072 0.82 ALOX5 (0.36) ALOX5PRKDCKDM4EMEN1ALDH1A1

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-2019143108-A1 ORGANIC ELECTROLUMINESCENT DEVICE 주식회사 두산 2019-07-25 — — WO disclosed
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