SCHEMBL6884036

SCHEMBL6884036

N#Cc1cccc(-c2cn(Cc3cccc4ccccc34)cc2C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.46
BAD Q92934 8/20 0.46
XDH P47989 2/20 0.44
SLC22A12 Q96S37 2/20 0.44
ADRA2C P18825 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTT P42858 1/20 0.40
CMA1 P23946 1/20 0.39
F11 P03951 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6165250 0.86 FNTA (0.51) MCL1BAD
SCHEMBL6889407 0.83 XDH (0.44) XDHSLC22A12HTTF11MMP12
SCHEMBL27531649 0.79 NR4A1 (0.53) MCL1BADCHRNB2CHRNA4CMA1
SCHEMBL5085509 0.71 SLC22A12 (0.61) XDHSLC22A12ADRA2CHTTF11
SCHEMBL21822526 0.70 CCR9 (0.57) MCL1HTTCMA1
SCHEMBL15853175 0.69 ADRA2C (0.54) MCL1ADRA2CACMSD
SCHEMBL21822506 0.68 CMA1 (0.42) MCL1BADSLC22A12CMA1F11
SCHEMBL21822447 0.68 CMA1 (0.42) SLC22A12HTTCMA1F11
SCHEMBL31689648 0.68 CMA1 (0.42) SLC22A12HTTCMA1F11
SCHEMBL31689693 0.68 CMA1 (0.42) MCL1BADSLC22A12CMA1F11

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