SCHEMBL5502022

SCHEMBL5502022

CS(=O)(=O)n1c(C#N)ccc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
PGR P06401 4/20 0.34
ENPP2 Q13822 1/20 0.32

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
SCHEMBL61947 0.72 AR (0.46) ARPGR
SCHEMBL91097 0.64 AR (0.46) ARPGR
SCHEMBL15392969 0.64 NR1H2 (0.36) ARPGR
SCHEMBL16530109 0.59 HTR6 (0.39) ARPGR
SCHEMBL29952669 0.59 ENPP2 (0.35) ENPP2
SCHEMBL2002285 0.56 AR (0.54) ARPGR
SCHEMBL24828300 0.55 LRRK2 (0.32)
SCHEMBL91095 0.53
SCHEMBL29957036 0.52 ENPP2 (0.44) ENPP2
Benzonitrile SCHEMBL28017673 0.52 TSHR (0.64)

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-1776107-A1 PROGESTERONE RECEPTOR MODULATORS COMPRISING PYRROLE-OXINDOLE DERIVATIVES AND USES THEREOF Wyeth (US) 2007-04-25 EP disclosed
WO-2006023109-A1 PROGESTERONE RECEPTOR MODULATORS COMPRISING PYRROLE-OXINDOLE DERIVATIVES AND USES THEREOF WYETH (US) 2006-03-02 WO disclosed