SCHEMBL9340864

SCHEMBL9340864

O=C(O)c1cc(O)c2ccc(SC(F)(F)F)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGFBP5 P24593 5/20 0.39
IGFBP3 P17936 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KCNH2 Q12809 1/20 0.37
KCNK2 O95069 6/20 0.36
KCNK10 P57789 5/20 0.36
ALOX15 P16050 1/20 0.35
SLC6A2 P23975 1/20 0.34
P2RY14 Q15391 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL499798 0.82 IGFBP5 (0.42) IGFBP5IGFBP3MAPTTSHRALOX15
SCHEMBL2904601 0.78 IGFBP3 (0.50) IGFBP5IGFBP3MAPK1SLC6A2P2RY14
SCHEMBL9343878 0.78 ALOX15 (0.43) IGFBP5IGFBP3LMNAMAPTALOX15
SCHEMBL2909106 0.76 IGFBP5 (0.45) IGFBP5IGFBP3ALOX15
SCHEMBL2905794 0.76 IGFBP5 (0.46) IGFBP5IGFBP3MAPTTSHRALOX15
SCHEMBL2909353 0.75 DHODH (0.46) IGFBP5IGFBP3HTTSMN1; SMN2ALOX15
SCHEMBL2902980 0.74 ALOX15 (0.47) IGFBP5IGFBP3MAPTTSHRSMN1; SMN2
7-Chlorokynurenic Acid SCHEMBL157187 0.73 IGFBP3 (0.47) IGFBP5IGFBP3
SCHEMBL2909734 0.73 MCL1 (0.44) IGFBP5IGFBP3HTTSMN1; SMN2ALOX15
SCHEMBL9398468 0.73 IGFBP5 (0.43) IGFBP5IGFBP3MAPTTSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486586-B1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FIDIA SPA (IT) 1994-06-08 EP claimed
US-5250541-A Neurological disorders FIDIA S.P.A. (IT) 1993-10-05 US claimed
WO-1991001973-A1 KYNURENIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FIDIA S.P.A. (IT) 1991-02-21 WO claimed
US-5250541-A Neurological disorders FIDIA S.P.A. (IT) 1993-10-05 US disclosed