SCHEMBL11021176

SCHEMBL11021176

Cc1ccc([N+]#N)c(Br)c1.F[B-](F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 3/20 0.30
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
MAPK1 P28482 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL11110746 1.00 RAB9A (0.31) RAB9AMEN1KMT2AL3MBTL1NPC1
SCHEMBL8501836 0.92 ALDH1A1 (0.35) RAB9AMEN1KMT2AL3MBTL1NPC1
Hydrochloric Acid SCHEMBL8501242 0.90 RAB9A (0.35) RAB9AMEN1KMT2AL3MBTL1NPC1
SCHEMBL28034889 0.80 TDP1 (0.37) ALDH1A1SMN1; SMN2CYP1A2CYP2A6
SCHEMBL6930605 0.78 FLT1 (0.32) RAB9ANPC1SMN1; SMN2
SCHEMBL2155974 0.75 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL10594860 0.74 NFE2L2 (0.33) ALDH1A1CYP1A2CYP2A6
SCHEMBL6587771 0.73 ALDH1A1 (0.31) ALDH1A1MAPK1
SCHEMBL4113607 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL29098242 0.73 ALDH1A1 (0.41) RAB9AMEN1KMT2AL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229039-A1 ACRIDINIUM-BASED PHOTOREDOX CATALYSTS, SYNTHESIS AND USE THEREOF IN OXIDATIVE CLEAVAGE OF C-O BONDS Université de Rennes (FR) 2023-08-23 EP disclosed
WO-2022079055-A1 ACRIDINIUM-BASED PHOTOREDOX CATALYSTS, SYNTHESIS AND USE THEREOF IN OXIDATIVE CLEAVAGE OF C-O BONDS UNIVERSITÉ DE RENNES 1 (FR) 2022-04-21 WO disclosed
EP-0077501-B1 PROCESS FOR THE PREPARATION OF FLUOROAROMATIC COMPOUNDS SUBSTITUTED IN THE ORTHO POSITION BAYER AG (DE) 1985-05-22 EP disclosed
EP-0048375-B1 PROCESS FOR THE PREPARATION OF 3-BROMO-4-FLUORO-BENZOIC ACID BAYER AG (DE) 1983-09-07 EP disclosed
EP-0077501-A1 Process for the preparation of fluoroaromatic compounds substituted in the ortho position BAYER AG (DE) 1983-04-27 EP disclosed
EP-0022942-A1 Process for preparing diazoniumtetrafluoroborates with nitrosyltetrafluoroborate, and their use BAYER AG (DE) 1981-01-28 EP disclosed
EP-0022959-A1 Process for the preparation of diazoniumtetrafluoroborates in a diluted aqueous solution BAYER AG (DE) 1981-01-28 EP disclosed