SCHEMBL23030697

SCHEMBL23030697

c1cc2c3c(c1)ccc1c3c3c4c(ccc3n1-c1nc3ccccc3nc1-c1cccc3c1sc1ccccc13)oc1cccc-2c14

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
ADK P55263 1/20 0.32
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
ALOX5 P09917 1/20 0.31
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL23030559 0.92 PRKDC (0.32) PRKDCPIK3CDPIK3CBADK
SCHEMBL24596643 0.90 ALOX5 (0.33) PRKDCPIK3CDPIK3CBADKHTT
SCHEMBL23030614 0.90 PRKDC (0.33) PRKDCPIK3CDPIK3CBADKHTT
SCHEMBL23030639 0.90 PRKDC (0.33) PRKDCPIK3CDPIK3CBADKHTT
SCHEMBL23030715 0.89 BRDT (0.33) BRDT
SCHEMBL23874896 0.89 PRKDC (0.34) PRKDCPIK3CDPIK3CBADKHTT
SCHEMBL23031030 0.88 ALOX5 (0.34) PRKDCPIK3CDPIK3CBHTTPAX8
SCHEMBL23030703 0.86 PRKDC (0.31) PRKDC
SCHEMBL24596622 0.86 ALOX5 (0.36) PRKDCPIK3CDPIK3CBADKHTT
SCHEMBL23030701 0.86 ALDH1A1 (0.34) ALDH1A1GAAHPGD

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-2021033980-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-25 WO disclosed