SCHEMBL7182329

SCHEMBL7182329

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
KCNK3 O14649 1/20 0.62
RXFP1 Q9HBX9 7/20 0.61
LMNA P02545 2/20 0.58
EPAS1 Q99814 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PTGS1 P23219 1/20 0.55
IL2 P60568 1/20 0.55
P2RX1 P51575 2/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL24141032 0.85 MAPT (0.84) MAPTKCNK3RXFP1LMNAMEN1
SCHEMBL23447711 0.84 MAPT (0.82) MAPTKCNK3RXFP1LMNAMEN1
SCHEMBL5313393 0.83 MAPT (0.75) MAPTKCNK3RXFP1LMNAMEN1
SCHEMBL30447521 0.83 MAPT (0.75) MAPTKCNK3RXFP1LMNAMEN1
SCHEMBL5934086 0.82 MEN1 (0.58) MAPTKCNK3RXFP1LMNAEPAS1
SCHEMBL4683413 0.82 KCNK3 (0.88) MAPTKCNK3RXFP1LMNAMEN1
SCHEMBL3033881 0.82 MAPT (0.69) MAPTKCNK3RXFP1LMNAMEN1
Hydrochloric Acid SCHEMBL29693050 0.81 KCNK3 (0.86) MAPTKCNK3RXFP1LMNAMEN1
SCHEMBL14083448 0.81 TRPV1 (0.67) MAPTKCNK3RXFP1MEN1KMT2A
SCHEMBL7816780 0.80 MEN1 (0.76) MAPTKCNK3RXFP1LMNAMEN1

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-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed