SCHEMBL1630388

SCHEMBL1630388

COc1ccccc1-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.64
NR3C1 P04150 7/20 0.64
NR3C2 P08235 7/20 0.64
AR P10275 6/20 0.64
CYP17A1 P05093 4/20 0.45
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
ABL2 P42684 1/20 0.43
GSK3A P49840 1/20 0.43
CDK7 P50613 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
PLA2G4A P47712 1/20 0.42
BRD4 O60885 1/20 0.41

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
SCHEMBL14472315 0.83 PGR (0.71) PGRNR3C1NR3C2ARCYP17A1
SCHEMBL1631091 0.82 PGR (0.73) PGRNR3C1NR3C2ARCYP17A1
SCHEMBL14116612 0.82 PGR (0.75) PGRNR3C1NR3C2ARCYP17A1
SCHEMBL1629887 0.82 PGR (0.72) PGRNR3C1NR3C2ARCYP17A1
SCHEMBL1629914 0.81 PGR (0.70) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1630932 0.81 PGR (0.65) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1631200 0.79 PGR (1.00) PGRNR3C1NR3C2ARSLC22A12
SCHEMBL1629666 0.79 PGR (0.68) PGRNR3C1NR3C2ARCYP17A1
SCHEMBL1630660 0.78 PGR (0.67) PGRNR3C1NR3C2ARBRD4
SCHEMBL1630569 0.78 PGR (0.69) PGRNR3C1NR3C2ARKDM1A

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
EP-1979314-B1 INDOLE SULFONAMIDE MODULATORS OF PROGESTERONE RECEPTORS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed