SCHEMBL28583244

SCHEMBL28583244

Cc1c(C)c2ccc(Br)cc2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.44
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2A6 P11509 1/20 0.39
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KIT P10721 1/20 0.37
LMNA P02545 1/20 0.36
AHR P35869 1/20 0.35

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
SCHEMBL19757717 0.95 ESR2 (0.41) KMT2ARXFP1MEN1ESR2ALDH1A1
SCHEMBL3744740 0.91 ESR2 (0.42) KMT2ARXFP1MEN1ESR2ALDH1A1
SCHEMBL12377924 0.90 RXFP1 (0.41) KMT2ARXFP1MEN1ESR2ALDH1A1
SCHEMBL19713318 0.88 MAPK1 (0.43) KMT2ARXFP1MEN1ESR2ALDH1A1
SCHEMBL12580921 0.88 MEN1 (0.52) KMT2ARXFP1MEN1ALDH1A1MAPK1
SCHEMBL21764548 0.88 MEN1 (0.52) KMT2ARXFP1MEN1ALDH1A1MAPK1
SCHEMBL16076434 0.88 MEN1 (0.52) KMT2ARXFP1MEN1ALDH1A1MAPK1
SCHEMBL21636087 0.88 MEN1 (0.52) KMT2ARXFP1MEN1ALDH1A1MAPK1
SCHEMBL312606 0.88 MEN1 (0.52) KMT2ARXFP1MEN1ALDH1A1MAPK1
Triphenylene SCHEMBL1923284 0.88 MEN1 (0.52) KMT2ARXFP1MEN1ALDH1A1MAPK1

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
CN-109400438-B Synthesis method of 9, 10-disubstituted phenanthrene compound 西北大学 2021-07-02 CN disclosed