SCHEMBL9846008

SCHEMBL9846008

N#Cc1cccc(-c2ccc(CBr)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
CLK4 Q9HAZ1 1/20 0.47
PTPN5 P54829 1/20 0.47
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
GSK3B P49841 2/20 0.46
AURKA O14965 1/20 0.46
GSK3A P49840 1/20 0.46
CHEK1 O14757 1/20 0.46
MME P08473 1/20 0.45
PGR P06401 3/20 0.44
NR3C2 P08235 1/20 0.43
MAP4K4 O95819 1/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA1 P14867 1/20 0.43

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
SCHEMBL1997372 0.87 CLK4 (0.49) MMP12MMP13CLK4XDHSLC22A12
SCHEMBL15245751 0.84 LOXL2 (0.59) MMP12MMP13HDAC8CLK4PTPN5
SCHEMBL27787243 0.82 CLK4 (0.63) CLK4PTPN5XDHSLC22A12PGR
SCHEMBL7660410 0.82 MMP12 (0.55) MMP12MMP13HDAC8CLK4PTPN5
SCHEMBL8982347 0.82 CYP2A6 (0.57) MMP12MMP13HDAC8CLK4PTPN5
SCHEMBL10244532 0.82 CYP2A6 (0.57) MMP12MMP13HDAC8CLK4PTPN5
SCHEMBL1998639 0.82 MMP3 (0.47) MMP12MMP13GABRG2GABRB3GABRA5
SCHEMBL19608719 0.81 TSHR (0.58) MMP12MMP13HDAC8CLK4PTPN5
SCHEMBL21189130 0.81 CLK4 (0.57) CLK4PTPN5XDHSLC22A12CHEK1
SCHEMBL1078454 0.81 LOXL2 (0.52) MMP12MMP13HDAC8GSK3B

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-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed