SCHEMBL23969704

SCHEMBL23969704

CCC1C=CC(c2ccccc2C#N)=CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.34
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AR P10275 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
SCHEMBL23969743 0.78 IDH1 (0.31)
SCHEMBL16361099 0.65 SMN1; SMN2 (0.33)
SCHEMBL10629422 0.65 ESR2 (0.39) ESR2TSHR
SCHEMBL24097055 0.64 ESR2 (0.38) ESR2TSHR
SCHEMBL29412287 0.63 ESR2 (0.60) ESR2TSHRAR
SCHEMBL222 0.63 ESR2 (0.60) ESR2TSHRAR
SCHEMBL8635265 0.63 TSHR (0.37) TSHR
SCHEMBL15037756 0.63
SCHEMBL7991916 0.61
SCHEMBL27762059 0.61 ESR2 (0.44) ESR2TSHRAR

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-3904366-A1 END CAPPED NUCLEIC ACID MOLECULES Novartis AG (CH) 2021-11-03 EP disclosed