SCHEMBL11515018

SCHEMBL11515018

NC(=O)CCC(CCCCCCCC(Br)[Se]c1nnnn1-c1ccccc1)CC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL10351823 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL11513751 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL11320146 0.74 NPC1 (0.39) HSD11B1ALDH1A1POLBMAPK1ATM
SCHEMBL10575852 0.69 ALDH1A1 (0.43) ALDH1A1L3MBTL1POLBMAPK1ATM
SCHEMBL11741017 0.66 HSD11B1 (0.37) HSD11B1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15155157 0.64 PRSS1 (0.52) L3MBTL1MEN1KMT2AMAPTTSHR
SCHEMBL14866986 0.64 PRSS1 (0.52) L3MBTL1MEN1KMT2AMAPTTSHR
SCHEMBL14866985 0.64 PRSS1 (0.52) L3MBTL1MEN1KMT2AMAPTTSHR
SCHEMBL8383210 0.62 PRSS1 (0.50) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL1133494 0.62 PRSS1 (0.50) ALDH1A1L3MBTL1MEN1KMT2AMAPT

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-4171975-A MAGENTA COUPLER AND AN AMIDE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-10-23 — — US disclosed
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