SCHEMBL7578571

SCHEMBL7578571

[N-]=[N+]=C1C(=O)Oc2ccc(Oc3ccc4c(c3)C(=O)C(=[N+]=[N-])C(=O)O4)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 5/20 0.39
AURKA O14965 2/20 0.39
DAPK3 O43293 2/20 0.39
GSK3B P49841 2/20 0.39
BLK P51451 2/20 0.39
BTK Q06187 2/20 0.39
STK17A Q9UEE5 2/20 0.39
DAPK2 Q9UIK4 2/20 0.39
CDK5 Q00535 1/20 0.39
TEK Q02763 1/20 0.39
ITK Q08881 1/20 0.39
ELANE P08246 1/20 0.36
TGM2 P21980 2/20 0.36
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7546181 0.81 TOP1 (0.49) MAOAMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL7545914 0.79 TYR (0.49) STK17BMAOAMAOBMAPTALDH1A1
SCHEMBL6670897 0.76 STK17B (0.47) STK17BAURKAGSK3BELANEMAOA
SCHEMBL6671599 0.76 MAOA (0.32) STK17BMAOAMAOBALDH1A1TDP1
SCHEMBL7567696 0.71 STK17B (0.42) STK17BAURKAGSK3BELANEMAOA
SCHEMBL7552791 0.70 MAOB (0.54) MAOAMAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL7549906 0.70 TYR (0.51) STK17BAURKADAPK3GSK3BBLK
SCHEMBL42261 0.64 MAOA (0.53) TGM2MAOAMAOBMAPTALDH1A1
SCHEMBL30950420 0.64 MAOA (0.53) TGM2MAOAMAOBMAPTALDH1A1
SCHEMBL30970619 0.63 MAOA (0.56) TGM2MAOAMAOBMAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977747-B1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT FINANCE BVI LTD (VG) 2002-06-12 EP disclosed
EP-0977747-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-02-09 EP disclosed
WO-1998039319-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
US-5726295-A Photoactive coumarin derivatives HOECHST CELANESE CORP. (US) 1998-03-10 US disclosed