SCHEMBL4685322

SCHEMBL4685322

CNC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.47
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
NR3C2 P08235 3/20 0.46
PGR P06401 2/20 0.46
NEK1 Q96PY6 2/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
KMT2A Q03164 2/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43

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
SCHEMBL4647690 1.00 NR3C1 (0.47) NR3C1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4646109 0.92 NR3C1 (0.47) NR3C1NR3C2PGRNEK1KMT2A
SCHEMBL4645653 0.88 NR3C1 (0.46) NR3C1NR3C2PGRMMP2MMP9
SCHEMBL4648789 0.88 NR3C1 (0.49) NR3C1NR3C2PGRNEK1MMP2
SCHEMBL4648410 0.88 NEK1 (0.56) NR3C1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4645638 0.84 NR3C1 (0.42) NR3C1NR3C2PGRNEK1MMP2
SCHEMBL14025309 0.83 NEK1 (0.50) NR3C1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4646409 0.82 MEN1 (0.47) NR3C1NR3C2PGRNEK1MMP2
SCHEMBL4687933 0.82 MEN1 (0.47) NR3C1NR3C2PGRNEK1MMP2
SCHEMBL14064843 0.82 KMT2A (0.45) NR3C1HDAC3HDAC4HDAC1HDAC7

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-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed