SCHEMBL23814319

SCHEMBL23814319

Bc1c(B)c(-c2cccc3oc4cc5ccccc5cc4c23)c(B)c(B)c1-c1c2c(B)c(B)c(B)c(B)c2c(-c2c(B)c(B)c(B)c3c(B)c(B)c(B)c(B)c23)c2c(B)c(B)c(B)c(B)c12

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XRCC6 P12956 1/20 0.30
XRCC5 P13010 1/20 0.30
PRKDC P78527 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL24776860 0.96 ALDH1A1 (0.31) XRCC6XRCC5PRKDCALDH1A1TP53
SCHEMBL24735645 0.87
SCHEMBL24735262 0.86 ALDH1A1 (0.32) XRCC6XRCC5PRKDCALDH1A1TP53
SCHEMBL23814498 0.85 MAOA (0.34) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL24777279 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21940344 0.84 ALDH1A1 (0.34) XRCC6XRCC5PRKDCALDH1A1TP53
SCHEMBL24735382 0.83 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL25683754 0.83 PSD (0.35) PRKDCALDH1A1HPGDHSD17B10
SCHEMBL23814505 0.83 ALOX5 (0.33) PRKDC
SCHEMBL23814504 0.82 MAOA (0.33) ALDH1A1HPGDCASP1CASP7HSD17B10

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
US-20210288260-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-09-16 US disclosed