SCHEMBL8364235

SCHEMBL8364235

COC(=O)c1ccc(CN(C2CCCN(C(=O)N3CCOCC3)C2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
RORC P51449 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MCHR1 Q99705 4/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.40
AKR1C3 P42330 1/20 0.40
F2R P25116 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MGLL Q99685 1/20 0.39
PSEN1 P49768 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
SCHEMBL8364218 0.90 EP300 (0.48) EP300HIF1AHDAC6MEN1KMT2A
SCHEMBL8361728 0.88 RORC (0.51) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8361739 0.88 HDAC6 (0.46) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8363852 0.87 ALOX15 (0.47) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8363828 0.86 HDAC6 (0.44) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8364244 0.86 HDAC6 (0.44) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8361730 0.86 RORC (0.46) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8364249 0.85 CNR1 (0.45) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8364256 0.85 HDAC6 (0.46) HDAC6MEN1KMT2AHDAC3HDAC8
SCHEMBL8363943 0.85 KMT2A (0.44) HDAC6MEN1KMT2AHDAC3HDAC8

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
WO-2003013527-A1 SULFONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-02-20 WO disclosed