SCHEMBL27698604

SCHEMBL27698604

O=C(O)c1ccc(C(=O)O)c(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ENPP2 Q13822 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL2187979 0.92 MEN1 (0.55) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2213153 0.90 LMNA (0.49) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2187717 0.87 LMNA (0.53) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2186962 0.86 LMNA (0.56) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2187480 0.86 LMNA (0.48) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2187384 0.85 MEN1 (0.47) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2185430 0.85 LMNA (0.50) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2213291 0.85 MAPT (0.52) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2185672 0.84 LMNA (0.53) LMNAHTTMAPTNPSR1KMT2A
SCHEMBL2186478 0.83 KMT2A (0.48) LMNAHTTMAPTNPSR1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed