SCHEMBL6640341

SCHEMBL6640341

FC(F)(F)C(F)(F)COc1ccc(CBr)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.37
MAOB P27338 9/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
PTPN6 P29350 1/20 0.33
CDC25A P30304 1/20 0.33
PTPN11 Q06124 1/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 3/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 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
SCHEMBL122100 0.84 ALDH1A1 (0.44) PTPRZ1MAOBTSHRMAPTTRPA1
SCHEMBL8560561 0.81 PTPRZ1 (0.39) PTPRZ1MAOBTSHRUSP2MAPT
SCHEMBL506786 0.81 MAOB (0.53) MAOB
SCHEMBL7762488 0.80 KDM4E (0.41) MAOBTSHRUSP2MAPTALDH1A1
SCHEMBL6637857 0.78 HTT (0.45) PTPRZ1MAOBTSHRUSP2MAPT
SCHEMBL10178017 0.76 DRD2 (0.41) MAOBMAPT
SCHEMBL506890 0.76 NUDT1 (0.38) TSHRTRPA1ALDH1A1APP
SCHEMBL2566681 0.76 MAOB (0.49) MAOBTSHRUSP2MAPTALDH1A1
SCHEMBL9578594 0.76 LTA4H (0.44) TSHRUSP2MAPTAPP
SCHEMBL506251 0.73 MAOB (0.46) MAOBMAPTALDH1A1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866793-B1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORP (US) 2004-10-27 EP disclosed
US-6087358-A BACTERICIDES TREATING PATHOGENIC INFECTIONS OF MYCOBACTERIA, CLOSTRIDIUM, CRYPTOSPORIDIUM OR HELICOBACTER AND MULTIDRUG-RESISTANT TUBERCULOSIS PATHOGENESIS CORPORATION (US) 2000-07-11 US disclosed
EP-0866793-A4 1998-10-07 EP disclosed
EP-0866793-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1998-09-30 EP disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO disclosed