SCHEMBL8575784

SCHEMBL8575784

COc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2cccc(C(=O)CCCCCl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.45
LMNA P02545 3/20 0.45

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
SCHEMBL8575779 0.79 HSD11B1 (0.46) HDAC1HDAC8KMT2AMEN1HSD11B1
SCHEMBL3738802 0.72 PDE4B (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3138472 0.71 CES2 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7142354 0.71 HDAC8 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14185293 0.71 ALDH1A1 (0.50) KMT2AMEN1HSD11B1TP53LMNA
SCHEMBL15953453 0.70 MAPK1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2119407 0.70 LMNA (0.78) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL8570532 0.69 CYP1A2 (0.67) HDAC1HDAC8MAPTTP53LMNA
SCHEMBL18545998 0.69 HSP90AA1 (0.70) KMT2AMAPTTP53LMNAALDH1A1
SCHEMBL319315 0.68 PDE4B (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2

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-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed