SCHEMBL7224176

SCHEMBL7224176

COc1cc(N)n(Cc2ccc(-c3ccc4c(c3)OCO4)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41

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
SCHEMBL6289617 0.72 CYP1A2 (0.50) ALDH1A1NPSR1SMN1; SMN2KDM4ECYP19A1
SCHEMBL17083048 0.68 GABRA1 (0.52) KDM4EMAPTKMT2AMEN1
SCHEMBL6482119 0.68 ALDH1A1 (0.64) HTTALDH1A1NPSR1SMN1; SMN2KDM4E
SCHEMBL1491086 0.66 CMA1 (0.56) ALDH1A1SMN1; SMN2KDM4EL3MBTL1USP2
SCHEMBL3901839 0.65 CA12 (0.61) HTTALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL6289899 0.65 EDNRB (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8988279 0.65 CA12 (0.51) MAPTCMA1
SCHEMBL6289177 0.64 ADORA2A (0.54) ALDH1A1NPSR1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL7301245 0.64 TSHR (0.60) ALDH1A1NPSR1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL19925941 0.63 POLB (0.50) ALDH1A1SMN1; SMN2KDM4EL3MBTL1LMNA

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
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed