SCHEMBL9799718

SCHEMBL9799718

Nc1cccc(NC(=O)c2cccc([C]=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.60
DDX3X O00571 1/20 0.58
ALDH1A1 P00352 2/20 0.51
CNR1 P21554 1/20 0.51
IKBKB O14920 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
MAPT P10636 1/20 0.50
ULK1 O75385 1/20 0.49
KCNH2 Q12809 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
LCK P06239 1/20 0.48
TEK Q02763 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BTK Q06187 2/20 0.47

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
SCHEMBL15886741 0.87 PTGS1 (0.59) PTGS1DDX3XALDH1A1MEN1KMT2A
SCHEMBL308208 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL31171978 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL29568967 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL8403932 0.86 PTGS1 (0.72) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
Hydrochloric Acid SCHEMBL11740733 0.84 PTGS1 (0.70) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL2126328 0.82 PTGS1 (0.68) PTGS1DDX3XALDH1A1SMN1; SMN2MEN1
SCHEMBL1680201 0.82 KCNK3 (0.50) MEN1KMT2AKCNK3KCNK9MAPT
SCHEMBL16431098 0.82 PTGS1 (0.63) PTGS1DDX3XALDH1A1CNR1SMN1; SMN2
SCHEMBL7379264 0.81 KCNK3 (0.71) ALDH1A1MEN1KMT2AKCNK3KCNK9

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-0277376-B1 AROMATIC AMIDE GROUPS-CONTAINING DIAMINES AND POLYMERS IN WHICH THESE DIAMINES ARE INCORPORATED AKZO N.V. (NL) 1991-02-27 EP disclosed
EP-0277376-A1 Aromatic amide groups-containing diamines and polymers in which these diamines are incorporated AKZO N.V. (NL) 1988-08-10 EP disclosed