SCHEMBL29840280

SCHEMBL29840280

CC(C)(C)ON=O.N#Cc1ccc(I)c(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.37
PGR P06401 1/20 0.30

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
SCHEMBL1643385 0.81 AR (0.39) AR
SCHEMBL18552713 0.66 AR (0.44) AR
SCHEMBL10944659 0.66 AR (0.43) AR
SCHEMBL3838194 0.65 TRPV4 (0.39) AR
SCHEMBL974487 0.64 AR (0.49) ARPGR
SCHEMBL13199474 0.64 AR (0.45) AR
SCHEMBL3839278 0.63 ALDH1A1 (0.37) ARPGR
SCHEMBL3333071 0.63 CYP11B2 (0.42) AR
SCHEMBL31542127 0.63 TRPV4 (0.42) AR
SCHEMBL8664256 0.63 TRPV4 (0.42) AR

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-4051680-A1 CONDENSED BI-HETEROCYCLES AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-09-07 EP disclosed