SCHEMBL7475141

SCHEMBL7475141

CC(C)(C)ON(C=O)C1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
CHRM5 P08912 1/20 0.41
CCR6 P51684 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 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
SCHEMBL7469895 0.88 TSHR (0.53) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL7465164 0.87 SMN1; SMN2 (0.55) GAAKDM4EALDH1A1L3MBTL1PKM
SCHEMBL7468310 0.76 ACHE (0.49)
SCHEMBL7474256 0.72 ALDH1A1 (0.54) GAAKDM4EALDH1A1TP53NPC1
SCHEMBL17069876 0.72 POLB (0.57) GAAKDM4EMEN1KMT2APOLB
SCHEMBL13152700 0.71 ALDH1A1 (0.60) GAAKDM4EMEN1KMT2APOLB
SCHEMBL28471923 0.70 GAA (0.58) GAAKDM4EMEN1KMT2APOLB
SCHEMBL762416 0.70 KMT2A (0.74) GAAKDM4EMEN1KMT2APOLB
SCHEMBL28003015 0.69 KMT2A (0.55) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL7475133 0.68 ALDH1A1 (0.50) GAAKDM4EMEN1KMT2APOLB

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed