SCHEMBL4864495

SCHEMBL4864495

CC(=O)NCCc1ccc([C](F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
F13A1 P00488 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
PTGS1 P23219 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL10592850 0.87 KDM4E (0.84) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3203944 0.85 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6845394 0.85 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6329536 0.85 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3523937 0.84 KDM4E (0.68) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL658361 0.81 KDM4E (0.70) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14966449 0.81 SMN1; SMN2 (0.68) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16017577 0.81 PLK1 (0.64) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10451965 0.81 KDM4E (0.64) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4867311 0.81 ALDH1A1 (0.73) KDM4EF13A1SMN1; SMN2ALDH1A1MAPT

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
JP-2008520575-A 2008-06-19 JP claimed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP claimed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO claimed