SCHEMBL28424176

SCHEMBL28424176

CC1C(=O)N(S)c2c(C(=O)c3ccc(Br)cc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
MAPT P10636 4/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 4/20 0.38
ABCB11 O95342 1/20 0.38
PTGS1 P23219 1/20 0.38
ADORA1 P30542 1/20 0.38
PTGS2 P35354 1/20 0.38
KMT2A Q03164 4/20 0.36
HPGD P15428 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
MEN1 O00255 3/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9747889 0.71 AKR1C3 (0.44) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL9475462 0.65 AKR1C3 (0.63) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL3956232 0.65 AKR1C3 (0.81) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL3843558 0.65 AKR1C3 (0.81) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL28381581 0.63 AKR1C3 (0.41) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL27410699 0.63 NPC1 (0.65) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL21629505 0.62 HPGD (0.61) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL10414512 0.62 AKR1C3 (0.54) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL3677894 0.62 AKR1C3 (0.69) AKR1C3MAPTHTTMAPK1NPC1
SCHEMBL10395918 0.61 LMNA (0.60) AKR1C3MAPTHTTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196770-B Simple preparation method of bromfenac sodium 新发药业有限公司 2023-04-07 CN disclosed
CN-110885296-B Preparation method of bromfenac sodium 新发药业有限公司 2022-11-04 CN disclosed
CN-111196770-A Simple preparation method of bromfenac sodium 新发药业有限公司 2020-05-26 CN disclosed