SCHEMBL10243324

SCHEMBL10243324

C=Cc1ccc(-c2ccc(-c3cccc(C#N)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.47
PTPN5 P54829 1/20 0.47
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
PGR P06401 3/20 0.44
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
CHEK1 O14757 1/20 0.42
IDO1 P14902 2/20 0.41
NOTUM Q6P988 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A3 P47895 1/20 0.41
SLC6A7 Q99884 1/20 0.41

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
SCHEMBL27787243 0.82 CLK4 (0.63) CLK4PTPN5XDHSLC22A12PGR
SCHEMBL5849310 0.82 XDH (0.50) CLK4PTPN5XDHSLC22A12MMP12
SCHEMBL21189130 0.81 CLK4 (0.57) CLK4PTPN5XDHSLC22A12PGR
SCHEMBL8351562 0.81 MMP3 (0.52) NOTUM
SCHEMBL10243387 0.81 MMP3 (0.52) NOTUM
Hydrochloric Acid SCHEMBL28007259 0.80 CLK4 (0.61) CLK4PTPN5XDHSLC22A12PGR
SCHEMBL594542 0.80 ALDH1A1 (0.55)
SCHEMBL2154026 0.80 CLK4 (0.65) CLK4PTPN5XDHSLC22A12PGR
SCHEMBL30601284 0.79 FBP1 (0.51) CLK4MAOB
SCHEMBL471486 0.79 FBP1 (0.51) CLK4MAOB

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
WO-2012018868-A1 SUBSTITUTED 2-HYDROXY-4-(2-(PHENYLSULFONAMIDO)ACETAMIDO)BENZOIC ACID ANALOGS AS INHIBITORS OF STAT PROTEINS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-02-09 WO disclosed