SCHEMBL6231724

SCHEMBL6231724

O=Cc1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.61
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
PTPN1 P18031 2/20 0.40
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
PTPN2 P17706 1/20 0.37
PTPN7 P35236 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
AR P10275 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL6689534 0.83 PTPRZ1 (0.58) PTPRZ1POLBMAPTTDP1NPC1
SCHEMBL30386687 0.81 PTPRZ1 (0.66) PTPRZ1TDP1PTPN1MAOAMAOB
SCHEMBL14102978 0.80 NPC1 (0.61) POLBTDP1NPC1RAB9AHPGD
SCHEMBL6685855 0.79 PTPRZ1 (0.77) PTPRZ1MAPTTDP1NPC1RAB9A
SCHEMBL190184 0.78 HPGD (0.58) POLBMAPTTDP1NPC1RAB9A
SCHEMBL1508320 0.77 CYP2D6 (0.53) PTPN1MAOAMAOBMRGPRX4
SCHEMBL14339304 0.74 TDP1 (0.46) POLBMAPTTDP1
SCHEMBL1564072 0.73 HPGD (0.46) MAPTRAB9AHPGDMAOAMAOB
SCHEMBL23004615 0.73 MAOB (0.63) POLBMAPTMAOAMAOB
SCHEMBL6233787 0.72 PTPRZ1 (0.57) PTPRZ1MAPTTDP1NPC1RAB9A

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed