SCHEMBL28720796

SCHEMBL28720796

Clc1ccc2c(c1)N(c1ccccc1)c1ccc(Br)cc1N2c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.49
PDE4D Q08499 1/20 0.49
CHRM1 P11229 1/20 0.36
FGFR1 P11362 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALDH2 P05091 2/20 0.35
ALDH3A1 P30838 2/20 0.35
MITF O75030 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CCKBR P32239 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MGLL Q99685 2/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29557779 1.00 OPRK1 (0.49) OPRK1PDE4DCHRM1FGFR1ALDH1A1
SCHEMBL29368871 0.89 MGLL (0.38) OPRK1PDE4DALDH1A1ALDH2ALDH3A1
SCHEMBL18493730 0.89 MGLL (0.38) OPRK1PDE4DALDH1A1ALDH2ALDH3A1
SCHEMBL29634622 0.87 ALDH1A1 (0.37) OPRK1PDE4DALDH1A1ALDH2ALDH3A1
SCHEMBL15470443 0.87 ALDH1A1 (0.37) OPRK1PDE4DALDH1A1ALDH2ALDH3A1
SCHEMBL24602376 0.81 OPRK1 (0.50) OPRK1PDE4DCHRM1FGFR1ALDH1A1
SCHEMBL12480884 0.81 IDO1 (0.35) ALDH1A1ALDH2ALDH3A1ATMMEN1
SCHEMBL28717934 0.81 AHR (0.40) OPRK1PDE4DNPSR1MEN1KMT2A
SCHEMBL28731845 0.81 BCHE (0.42) OPRK1PDE4DNPSR1L3MBTL1
SCHEMBL28720791 0.81 AHR (0.44) OPRK1PDE4DALDH1A1HTTNPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315742-B Fluorene-containing compound and application thereof 湖北尚赛光电材料有限公司 2024-06-28 CN disclosed
CN-114315742-A Fluorene-containing compound and application thereof 湖北尚赛光电材料有限公司 2022-04-12 CN disclosed