SCHEMBL21739802

SCHEMBL21739802

CC(c1cccc(F)c1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ACHE P22303 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AOC3 Q16853 1/20 0.40
CNR2 P34972 1/20 0.38
CASR P41180 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.37

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
SCHEMBL24682880 0.87 HTR2A (0.42) HTR2AHTR2CHTR2B
SCHEMBL12633574 0.83 CES2 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL25888600 0.83 CES2 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL10190840 0.83 CES2 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL16002846 0.81 PTPN5 (0.42) HDAC4HTR2AHTR2CHTR2B
SCHEMBL21739867 0.80 AOC3 (0.41) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL4661201 0.80 HDAC4 (0.43) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL13959433 0.78 CES2 (0.34) IDO1TDO2CES2CES1
SCHEMBL179253 0.78 ACHE (0.48) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL792296 0.78 ACHE (0.48) HDAC4HDAC7HDAC5IDO1TDO2

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-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed