SCHEMBL21189372

SCHEMBL21189372

Clc1nc(-c2ccccc2)nc(-c2cccc3c4c(oc23)C=CCC4)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.32
▸ TSHR P16473 4/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL23027482 0.90 PRKDC (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24443021 0.89 PRKDC (0.36) PIK3CDPIK3CBPRKDCATMSMN1; SMN2
SCHEMBL27362295 0.85 ABCG2 (0.31) MAPTMAPK1PDE5AABCG2
SCHEMBL20290691 0.82 PIK3CD (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24315115 0.81 PRKDC (0.34) PRKDCKDM4EMAPTHSD17B10ALDH1A1
SCHEMBL23034188 0.81 ALOX5 (0.33) PIK3CDPIK3CBPRKDCKDM4ETSHR
SCHEMBL25652507 0.81 MAPT (0.34) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL24281023 0.80 ALDH1A1 (0.34) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL21699612 0.80 KDM4E (0.31) KDM4ETSHRMAPTMAPK1HSD17B10
SCHEMBL24973572 0.80 ALOX5 (0.40) PIK3CDPIK3CBPRKDCKDM4ETSHR

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-2019143111-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2019-07-25 — — WO disclosed
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