SCHEMBL9017772

SCHEMBL9017772

CCC(=O)c1ccc(Cl)c(N(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL13973960 0.86 ATM (0.42) ATMKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10747352 0.85 GAA (0.41) MAPTSLC6A4SLC6A3HDAC3HDAC4
SCHEMBL27464962 0.81 ALDH1A1 (0.50) ATMKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10687512 0.80 TSHR (0.59) KMT2AMEN1MAPTSMN1; SMN2L3MBTL1
SCHEMBL10741902 0.80 HCAR3 (0.42) KMT2AMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2127069 0.80 TSHR (0.57) SLC6A4SLC6A3HDAC3HDAC4HDAC1
SCHEMBL29503139 0.79 SLC6A4 (0.48) KMT2AMEN1MAPTSMN1; SMN2SLC6A4
SCHEMBL2278168 0.77 CYP3A4 (0.52) ATMMAPTSMN1; SMN2L3MBTL1HDAC3
SCHEMBL10031580 0.75 KDM4E (0.54) ATMKMT2AMEN1SMN1; SMN2HDAC3
SCHEMBL18538090 0.75 MAPT (0.54) ATMKMT2AMEN1MAPTSMN1; SMN2

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-0599886-A4 MACROMONOMERS HAVING REACTIVE END GROUPS. MAXDEM INC (US) 1996-07-24 EP disclosed
EP-0599886-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1994-06-08 EP disclosed
WO-1993004099-A1 MACROMONOMERS HAVING REACTIVE END GROUPS MAXDEM INCORPORATED (US) 1993-03-04 WO disclosed