SCHEMBL21177977

SCHEMBL21177977

Brc1cccc2c1oc1c(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ PRKDC P78527 4/20 0.32
▸ HKDC1 Q2TB90 1/20 0.31
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ BRD2 P25440 2/20 0.31
▸ BRD3 Q15059 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ PIK3C2A O00443 1/20 0.31
▸ PIK3R2 O00459 1/20 0.31
▸ PIK3C2B O00750 1/20 0.31
▸ PDE5A O76074 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
SCHEMBL21177976 0.88 ALOX5 (0.39) ALOX5LOXL2PRKDCPTGES2ALDH1A1
SCHEMBL21717852 0.83 ALOX5 (0.52) ALOX5PRKDCPTGES2ALDH1A1KDM4E
SCHEMBL30989565 0.82 ALDH1A1 (0.44) HKDC1ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL19541050 0.81 ALOX5 (0.50) ALOX5PRKDCPTGES2ALDH1A1KDM4E
SCHEMBL10015166 0.81 PRKDC (0.41) ALOX5PRKDCALDH1A1KDM4EPIK3CD
SCHEMBL25480822 0.81 PRKDC (0.38) ALOX5PRKDCALDH1A1KDM4EPIK3CD
SCHEMBL17997063 0.78 ALOX5 (0.41) ALOX5PRKDCPTGES2ALDH1A1KDM4E
SCHEMBL17837004 0.77 KDM4E (0.40) ALOX5LOXL2PRKDCPTGES2ALDH1A1
SCHEMBL12093435 0.77 KDM4E (0.44) ALOX5PRKDCALDH1A1KDM4EPIK3CD
SCHEMBL31498984 0.77 KDM4E (0.44) ALOX5PRKDCALDH1A1KDM4EPIK3CD

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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