SCHEMBL5364904

SCHEMBL5364904

Cc1cc(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.62
PGR P06401 4/20 0.55
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL5365964 0.78 CYP11B2 (0.47) AR
SCHEMBL4920032 0.76 AR (0.58) ARPGRRXRARXRBRXRG
SCHEMBL21416825 0.74 AR (0.73) ARPGRRXRARXRBRXRG
SCHEMBL3075671 0.72 AR (0.57) ARPGRRXRARXRBRXRG
SCHEMBL4921058 0.72 ALDH1A1 (0.45)
SCHEMBL6466194 0.71 AR (0.59) ARPGRRXRARXRBRXRG
SCHEMBL409108 0.71 AR (0.74) ARPGR
SCHEMBL12804480 0.71 AR (1.00) ARPGR
SCHEMBL5711220 0.70 AR (0.72) ARPGRRXRARXRBRXRG
SCHEMBL6397627 0.69 AR (0.76) ARPGR

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
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed