SCHEMBL7469895

SCHEMBL7469895

CC(C)(C)ON(C=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HSD11B1 P28845 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
LSS P48449 1/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL7475141 0.88 GAA (0.48) MEN1KMT2AKDM4EL3MBTL1TP53
SCHEMBL7465164 0.87 SMN1; SMN2 (0.55) TSHRKDM4EL3MBTL1GAAPKM
Tert-Butyl Formate SCHEMBL28108074 0.73 MAPT (0.58) TSHRMEN1KMT2AKDM4EL3MBTL1
SCHEMBL7135994 0.72 PKM (0.58) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL266490 0.72 MEN1 (0.75) MEN1KMT2AKDM4EL3MBTL1PKM
SCHEMBL7469891 0.70 HTR2A (0.48) TSHRMEN1KMT2AL3MBTL1TP53
SCHEMBL1711115 0.69 PKM (0.85) TSHRMEN1KMT2AKDM4EL3MBTL1
SCHEMBL2060140 0.69 KMT2A (0.61) MEN1KMT2AL3MBTL1GAAPKM
SCHEMBL2060095 0.69 PKM (0.62) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL7132664 0.68 PKM (0.53) TSHRMEN1KMT2AKDM4EL3MBTL1

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