SCHEMBL6952126

SCHEMBL6952126

Cc1c(C(=O)/C=C/c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)sc2ccc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PADI4 Q9UM07 7/20 0.35
TBXAS1 P24557 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALOX5 P09917 1/20 0.33
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
BCKDK O14874 1/20 0.31
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL6952132 1.00 MAPT (0.36) MAPTNPC1GAARAB9APADI4
SCHEMBL6960303 0.80 SIRT2 (0.39) TBXAS1PTGDR2SIRT2
SCHEMBL7672734 0.77 PADI4 (0.35) MAPTNPC1GAARAB9APADI4
SCHEMBL6714980 0.71 RAB9A (0.42) NPC1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL6714982 0.71 RAB9A (0.42) NPC1GAARAB9AKDM4ESMN1; SMN2
SCHEMBL6963779 0.70 SIRT2 (0.39) SIRT2
SCHEMBL2893771 0.70 GPR35 (0.58) RAB9ATBXAS1PTGDR2DHODHBCKDK
SCHEMBL7082564 0.69 CYP1B1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7082566 0.69 CYP1B1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6926964 0.68 KDM4E (0.43) MAPTKDM4EALDH1A1SMN1; SMN2SIRT2

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-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed