SCHEMBL21658813

SCHEMBL21658813

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5c(-c7cccc8c7oc7ccccc78)cccc56)cc34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.43
▸ PRKDC P78527 4/20 0.40
▸ GGPS1 O95749 1/20 0.36
▸ PTPRF P10586 5/20 0.35
▸ PTPN2 P17706 5/20 0.35
▸ PTPN1 P18031 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LIMK1 P53667 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33

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
SCHEMBL24264044 0.96 ALOX5 (0.43) ALOX5PRKDCGGPS1PTPRFPTPN2
SCHEMBL23349565 0.93 ALOX5 (0.43) ALOX5PRKDCGGPS1ALDH1A1HPGD
SCHEMBL23349564 0.93 ALOX5 (0.43) ALOX5PRKDCGGPS1PTPRFPTPN2
SCHEMBL23349463 0.92 PRKDC (0.41) ALOX5PRKDCGGPS1PTPRFPTPN2
SCHEMBL23349618 0.92 PRKDC (0.41) ALOX5PRKDCGGPS1PTPRFPTPN2
SCHEMBL23349643 0.92 ALOX5 (0.38) ALOX5PRKDCGGPS1PTPRFPTPN2
SCHEMBL18216729 0.91 ALOX5 (0.45) ALOX5PRKDCGGPS1ALDH1A1HPGD
SCHEMBL21659070 0.91 ALOX5 (0.42) ALOX5PRKDCGGPS1PTPRFPTPN2
SCHEMBL25458683 0.90 LIMK1 (0.40) ALOX5PRKDCALDH1A1HPGDLIMK1
SCHEMBL23349722 0.90 ALOX5 (0.48) ALOX5PRKDCGGPS1PTPRFPTPN2

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-2020022779-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-01-30 — — WO disclosed
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