SCHEMBL7868613

SCHEMBL7868613

CO/N=C(\C)c1ccc(C(F)(F)F)c(F)c1.CO/N=C(\C)c1ccc(Cl)c(Cl)c1.CO/N=C(\C)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 2/20 0.38
RAB9A P51151 1/20 0.36
KIF11 P52732 1/20 0.35
GAA P10253 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
HSD11B1 P28845 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7784385 0.90 NPFFR2 (0.45) NPFFR2RAB9AKIF11GAAKCNQ3
SCHEMBL6816713 0.81 KIF11 (0.49) NPFFR2RAB9AKIF11KCNQ3KCNQ2
SCHEMBL6816717 0.81 KIF11 (0.49) NPFFR2RAB9AKIF11KCNQ3KCNQ2
SCHEMBL6814979 0.81 KMT2A (0.39) RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL6814976 0.81 KMT2A (0.39) RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL7868617 0.79 S1PR1 (0.34) NPFFR2RAB9AMEN1KMT2A
SCHEMBL7782578 0.78 RAB9A (0.45) NPFFR2RAB9AMEN1KMT2APOLB
SCHEMBL7844833 0.78 RAB9A (0.42) NPFFR2RAB9AMEN1KMT2APOLB
SCHEMBL7784388 0.77 NPFFR2 (0.37) NPFFR2KIF11GAAKCNQ3KCNQ2
SCHEMBL6816458 0.75 NPFFR2 (0.62) NPFFR2RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed