SCHEMBL23606232

SCHEMBL23606232

c1ccc2c(c1)-c1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cccc1C21C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
ALOX5 P09917 2/20 0.35
RORC P51449 1/20 0.31
AVPR1A P37288 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 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
SCHEMBL23606051 0.95 ALOX5 (0.34) PRKDCPIK3CDPIK3CBALOX5RORC
SCHEMBL23606233 0.88 ALOX5 (0.38) PRKDCALOX5
SCHEMBL25817566 0.88 ALOX5 (0.34) PRKDCPIK3CDPIK3CBALOX5AVPR1A
SCHEMBL23606043 0.88 PRKDC (0.36) PRKDCPIK3CDPIK3CBALOX5AVPR1A
SCHEMBL25878352 0.86 ALOX5 (0.39) PRKDCPIK3CDPIK3CBALOX5AVPR1A
SCHEMBL25878342 0.85 ALOX5 (0.37) PRKDCPIK3CDPIK3CBALOX5AVPR1A
SCHEMBL23605787 0.85 ALOX5 (0.39) PRKDCPIK3CDPIK3CBALOX5AVPR1A
SCHEMBL23605834 0.85 PRKDC (0.34) PRKDCALOX5
SCHEMBL25035877 0.85 PIK3CD (0.31) PRKDCPIK3CDPIK3CBALOX5
SCHEMBL25878347 0.85 ALOX5 (0.35) PRKDCPIK3CDPIK3CBALOX5

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-2021128764-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed