SCHEMBL21431817

SCHEMBL21431817

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c(-c6cccc7c6oc6ccccc67)cccc45)cc3)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
GGPS1 O95749 1/20 0.39
PRKDC P78527 9/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3CB P42338 3/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
ALDH1A1 P00352 3/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CG P48736 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE2A O00408 1/20 0.34
PIK3C2A O00443 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3C2B O00750 1/20 0.34
BRD4 O60885 1/20 0.34
PDE5A O76074 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL15625743 0.98 ALOX5 (0.49) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL15807446 0.98 ALOX5 (0.49) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL17126386 0.98 ALOX5 (0.49) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL17904024 0.95 ALOX5 (0.48) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL17126396 0.95 ALOX5 (0.47) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL15807485 0.95 ALOX5 (0.47) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL22161032 0.95 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL17369795 0.94 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL27046753 0.94 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2PIK3CD
SCHEMBL17735869 0.94 ALOX5 (0.50) ALOX5GGPS1PRKDCPTGES2PIK3CD

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-2019190270-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 동진쎄미켐 2019-10-03 WO disclosed