SCHEMBL7046828

SCHEMBL7046828

Cc1c(C(=O)O)c(-c2cccc(C#N)c2)c(C)n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.61
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCR2 P41597 1/20 0.48
CFTR P13569 1/20 0.47
F11 P03951 1/20 0.45
FEN1 P39748 1/20 0.44
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
PIN1 Q13526 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42

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
SCHEMBL6466411 0.89 AR (0.78) ARLMNATSHRSMN1; SMN2CCR2
SCHEMBL29071902 0.84 AR (0.74) ARLMNATSHRSMN1; SMN2NOTUM
SCHEMBL6882430 0.82 AR (0.75) ARLMNATSHRSMN1; SMN2
SCHEMBL6466964 0.78 AR (0.66) ARLMNATSHRSMN1; SMN2FEN1
SCHEMBL6468911 0.76 AR (1.00) ARLMNATSHRSMN1; SMN2
SCHEMBL6889299 0.76 AR (0.72) ARLMNATSHRSMN1; SMN2FEN1
SCHEMBL29071900 0.75 AR (0.70) ARLMNATSHRSMN1; SMN2NOTUM
SCHEMBL4484664 0.74 CFTR (0.45) ARLMNACCR2CFTRF11
SCHEMBL6469514 0.74 AR (0.55) ARLMNAMEN1KMT2A
SCHEMBL6465994 0.73 AR (0.79) ARLMNATSHRSMN1; SMN2

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-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed