SCHEMBL4286068

SCHEMBL4286068

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.94
KCNK3 O14649 2/20 0.85
P2RX1 P51575 2/20 0.85
LMNA P02545 1/20 0.85
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
PTGS1 P23219 2/20 0.81
HTT P42858 1/20 0.81
RAB9A P51151 1/20 0.81
KCNK9 Q9NPC2 1/20 0.78
RXFP1 Q9HBX9 3/20 0.77
TSHR P16473 1/20 0.72
POLB P06746 2/20 0.69
KCNQ3 O43525 1/20 0.68
KCNQ2 O43526 1/20 0.68
KCNE1 P15382 1/20 0.68
KCNQ1 P51787 1/20 0.68
KCNQ5 Q9NR82 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.67
RHOC P08134 1/20 0.66

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
SCHEMBL15603515 0.93 MAPT (0.81) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL20073524 0.93 MAPT (0.81) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL4517587 0.92 LMNA (1.00) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL4683413 0.92 KCNK3 (0.88) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL30739929 0.92 LMNA (1.00) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL5227631 0.92 P2RX1 (1.00) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL24141032 0.92 MAPT (0.84) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL4656855 0.91 MAPT (0.78) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL826721 0.91 MAPT (0.83) MAPTKCNK3P2RX1LMNAMEN1
SCHEMBL2859341 0.91 MEN1 (0.78) MAPTKCNK3P2RX1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067340-A1 DEVELOPER AND THERMOSENSITIVE RECORDING MATERIAL Mitsubishi Chemical Corporation (JP) 2022-10-05 EP disclosed
WO-2021107037-A1 DEVELOPER AND THERMOSENSITIVE RECORDING MATERIAL 三菱ケミカル株式会社 2021-06-03 WO disclosed
WO-2009152356-A2 COMPOUNDS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF MALARIA IRM LLC (BM) 2009-12-17 WO disclosed