SCHEMBL7468517

SCHEMBL7468517

O=C(O)c1ccc(Cn2c(=O)n(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccc(Cl)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 2/20 0.52
RHEB Q15382 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CMA1 P23946 2/20 0.44
MAPK8 P45983 3/20 0.43
MAPK9 P45984 1/20 0.42
ACLY P53396 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
MEN1 O00255 1/20 0.41
CXCR3 P49682 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL7472478 0.90 CCR2 (0.50) HDAC6HDAC1HDAC8SMN1; SMN2CMA1
SCHEMBL7472590 0.88 HDAC6 (0.54) HDAC6HDAC1HDAC8SMN1; SMN2MAPT
SCHEMBL7460713 0.88 MAPK8 (0.55) HDAC6HDAC1HDAC8SMN1; SMN2CMA1
SCHEMBL7461329 0.86 CMA1 (0.46) HDAC6HDAC1HDAC8SMN1; SMN2CMA1
SCHEMBL7471533 0.84 MAPT (0.45) SMN1; SMN2CMA1MEN1KMT2AMAPT
SCHEMBL7468017 0.84 HDAC6 (0.45) HDAC6HDAC1HDAC8SMN1; SMN2CMA1
SCHEMBL7466124 0.84 CMA1 (0.46) HDAC6HDAC1HDAC8CMA1MAPK8
SCHEMBL7465874 0.83 AKR1B1 (0.50) HDAC6CMA1PSEN1PSEN2APH1B
SCHEMBL7462052 0.83 KMT2A (0.47) HDAC6HDAC1HDAC8CMA1MAPK8
SCHEMBL7459226 0.83 PARG (0.44) HDAC6HDAC1HDAC8SMN1; SMN2CMA1

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
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed