SCHEMBL8856874

SCHEMBL8856874

Nc1[c]cccc1C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.37
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ACHE P22303 2/20 0.32
PIM3 Q86V86 1/20 0.31
PTGS1 P23219 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
P2RX1 P51575 1/20 0.30

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
SCHEMBL3727873 0.76 ALDH1A1 (0.48) IDO1KDM4EMAPT
SCHEMBL4651746 0.75 BRD4 (0.37) KDM4EMAPT
SCHEMBL30371054 0.72 MAPT (0.50) CES1MAPK1PLA2G2DHTTIDO1
SCHEMBL3037744 0.72 MAPT (0.50) CES1MAPK1PLA2G2DHTTIDO1
SCHEMBL5266398 0.72 MMP2 (0.33)
SCHEMBL10773472 0.70 HSP90AB1 (0.38) KDM4EMAPT
SCHEMBL5702899 0.70 MAPT (0.58) MAPT
SCHEMBL7006875 0.70 ALDH1A1 (0.56) KDM4EMAPT
SCHEMBL4582788 0.70 PDK2 (0.34) KDM4E
SCHEMBL3950618 0.70 NPC1 (0.42) CES1MAPK1HTTMAPT

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-0566446-B1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP claimed
US-5648381-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1997-07-15 US disclosed