SCHEMBL3823913

SCHEMBL3823913

O=C(Nc1ccc(F)cc1)c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.73
MITF O75030 1/20 0.71
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
ENPP1 P22413 1/20 0.68
ENPP2 Q13822 1/20 0.68
KCNQ3 O43525 2/20 0.66
KCNQ2 O43526 2/20 0.66
KCNE1 P15382 2/20 0.66
KCNQ1 P51787 2/20 0.66
BACE1 P56817 1/20 0.66
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
POLB P06746 2/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPK1 P28482 2/20 0.64
NT5E P21589 1/20 0.64
SNCA P37840 1/20 0.63

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
SCHEMBL6415838 1.00 PTPN1 (0.73) PTPN1MITFNPC1RAB9AENPP1
Hydrochloric Acid SCHEMBL5794613 0.98 PTPN1 (0.71) PTPN1MITFNPC1RAB9AENPP1
SCHEMBL17342684 0.91 ENPP1 (0.70) PTPN1MITFNPC1RAB9AENPP1
SCHEMBL9767723 0.90 NPC1 (0.76) PTPN1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL10684470 0.90 PTPN1 (0.88) PTPN1MITFNPC1RAB9AKCNQ3
SCHEMBL611657 0.90 NPC1 (0.76) PTPN1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL10939703 0.90 NPC1 (0.76) PTPN1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL5946767 0.85 PTPN1 (0.73) PTPN1MITFNPC1RAB9AKCNQ3
SCHEMBL8768807 0.85 MEN1 (0.86) PTPN1MITFNPC1RAB9AKCNQ3
SCHEMBL8770854 0.85 PTPN1 (0.79) PTPN1MITFNPC1RAB9AKCNQ3

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed