SCHEMBL25823517

SCHEMBL25823517

c1ccc2c(c1)-c1cccc3c(-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc5)cc4)ccc-2c13

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX5 P09917 2/20 0.37
HSD17B10 Q99714 3/20 0.36
HCRTR1 O43613 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PRKDC P78527 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL25823523 0.91 ALOX5 (0.39) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL24930211 0.88 AHR (0.38) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL25823521 0.88 BACE1 (0.36) ALDH1A1HPGDKDM4EMAPTALOX5
SCHEMBL23819395 0.88 ALOX5 (0.34) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL23819645 0.88 MAPT (0.34) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL19802304 0.87 ALOX5 (0.35) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL22876367 0.87 PLA2G2A (0.36) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL23945066 0.86 CA12 (0.44) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL26194103 0.86 AHR (0.41) AHRALDH1A1HPGDKDM4EMEN1
SCHEMBL26194568 0.86 MAPT (0.38) AHRALDH1A1HPGDKDM4EMEN1

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-2023125801-A1 FLUORANTHENE DERIVATIVE, LIGHT-EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT 东丽先端材料研究开发(中国)有限公司 2023-07-06 WO disclosed