SCHEMBL6232917

SCHEMBL6232917

Cc1cnc(C(C)NCc2ccc(OCc3ccc(SC(F)(F)F)cc3)cc2Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.43
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN7 P35236 1/20 0.33
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
PPARD Q03181 2/20 0.32
NR1H4 Q96RI1 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
CTSA P10619 1/20 0.30
PDE2A O00408 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
SCHEMBL6261792 1.00 PTPRZ1 (0.43) PTPRZ1MAOBMAOAPTPN1PTPN2
SCHEMBL6256021 0.89 PTPRZ1 (0.42) PTPRZ1PTPN1PTPN2PTPN7PPARD
SCHEMBL6232104 0.89 PTPRZ1 (0.42) PTPRZ1PTPN1PTPN2PTPN7PPARD
SCHEMBL6236427 0.85 MAOB (0.46) MAOBMAOA
SCHEMBL6235284 0.84 PTPRZ1 (0.37) PTPRZ1PTPN1
SCHEMBL6231277 0.81 PTPRZ1 (0.41) PTPRZ1PPARDCTSA
SCHEMBL6232919 0.81 PTPRZ1 (0.44) PTPRZ1MAOBMAOAPTPN1PTPN2
SCHEMBL6236909 0.79 NTRK1 (0.41) PTPRZ1LMNACTSA
SCHEMBL6231782 0.78 MAOB (0.43) MAOBMAOAPPARDNR1H4LMNA
SCHEMBL6235743 0.75 PDCD1 (0.39) PTPRZ1LMNA

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