SCHEMBL5199262

SCHEMBL5199262

O=Cc1cccc(NC(=O)CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
JAK3 P52333 1/20 0.46
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.44
UNG P13051 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
NR4A1 P22736 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL21765844 0.84 POLB (0.56) JAK3GAAMEN1KMT2ALMNA
SCHEMBL5199245 0.83 POLB (0.46) MAOBMAOAGAAMEN1KMT2A
SCHEMBL2702564 0.83 RAB9A (0.63) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL30827579 0.81 PKM (0.63) MAOBMAOAMEN1KMT2ALMNA
SCHEMBL4085443 0.81 F2R (0.57) ALDH1A1MAPT
SCHEMBL13614141 0.80 TERT (0.55) MAOBMAOAGAAMEN1KMT2A
SCHEMBL1098080 0.80 EPHX2 (0.65) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL3795376 0.80 F2R (0.54) MAOBMAOAGAAMEN1KMT2A
SCHEMBL2284477 0.80 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1MAPTCYP2C19
SCHEMBL6959297 0.79 UNG (0.53) MAOBMAOAUNGALDH1A1MAPT

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
EP-1469845-B1 DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES KALIL FIHLO JORGE ELIAS (BR) 2007-08-15 EP disclosed
EP-1469845-A2 COMPOUNDS, PARTICULARLY OF UREA DERIVATIVES OR ESTER DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES Kalil-Fihlo, Jorge Elias (BR) 2004-10-27 EP disclosed
WO-2003063858-A2 COMPOUNDS, PARTICULARLY OF UREA DERIVATIVES OR ESTER DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES KALIL-FIHLO, JORGE, ELIAS (BR) 2003-08-07 WO disclosed