SCHEMBL9437536

SCHEMBL9437536

O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.68
ADRA1A P35348 1/20 0.51
F2 P00734 3/20 0.49
F10 P00742 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
KLKB1 P03952 1/20 0.49
DAPK3 O43293 3/20 0.49
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PLCG2 P16885 1/20 0.48
MASP2 O00187 1/20 0.47
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
MEN1 O00255 1/20 0.43
MAPK1 P28482 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
SCHEMBL9437540 1.00 NOTUM (0.68) NOTUMADRA1AF2F10PLG
SCHEMBL24763252 0.89 NOTUM (0.62) NOTUMADRA1AF2F10PLG
SCHEMBL29518083 0.86 NOTUM (0.59) NOTUMADRA1AF2F10PLG
SCHEMBL22505804 0.86 NOTUM (0.59) NOTUMADRA1AF2F10PLG
SCHEMBL24241662 0.82 NOTUM (0.64) NOTUMADRA1AF2MAPTMASP2
SCHEMBL22505214 0.80 NOTUM (0.61) NOTUMADRA1AF2F10PLG
SCHEMBL3585257 0.79 DAPK3 (0.57) NOTUMF2F10PLGPLAU
SCHEMBL3585256 0.79 DAPK3 (0.57) NOTUMF2F10PLGPLAU
SCHEMBL3585803 0.79 DAPK3 (0.57) NOTUMF2F10PLGPLAU
SCHEMBL28342551 0.79 F2 (0.64) NOTUMF2F10PLGPLAU

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
US-5340802-A Central nervous system disorders ABBOTT LABORATORIES (US) 1994-08-23 US disclosed
EP-0405506-A1 Tetrapeptide type-B CCK receptor ligands ABBOTT LABORATORIES (US) 1991-01-02 EP disclosed