SCHEMBL8324121

SCHEMBL8324121

CCC(CC)(c1ccc2c(c1)ncn2C)c1c[nH]c2c(NS(C)(=O)=O)cccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 14/20 0.48
NR3C1 P04150 11/20 0.48
PGR P06401 9/20 0.48
AR P10275 9/20 0.48
IDH1 O75874 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G7 Q13093 2/20 0.34

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
SCHEMBL6091161 0.85 NR3C2 (0.47) NR3C2NR3C1PGRAR
SCHEMBL6091813 0.82 NR3C2 (0.48) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6091874 0.81 NR3C2 (0.46) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6090744 0.81 NR3C2 (0.46) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6091165 0.80 NR3C1 (0.53) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6091273 0.79 NR3C2 (0.54) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6088923 0.79 NR3C2 (0.53) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6090592 0.79 NR3C2 (0.46) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6091761 0.79 NR3C2 (0.46) NR3C2NR3C1PGRARPLA2G7
SCHEMBL6090543 0.79 NR3C1 (0.57) NR3C2NR3C1PGRARPLA2G7

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-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed