SCHEMBL7546181

SCHEMBL7546181

[N-]=[N+]=C1C(=O)Oc2ccc(OCc3ccccc3)cc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.49
MAOB P27338 15/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
GRM5 P41594 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOA P21397 11/20 0.48
GSTP1 P09211 1/20 0.45
MEN1 O00255 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 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
SCHEMBL7552791 0.90 MAOB (0.54) TOP1MAOBNPC1ALDH1A1HPGD
SCHEMBL7578571 0.81 STK17B (0.39) MAOBNPC1ALDH1A1HPGDRAB9A
SCHEMBL8032699 0.78 MAOB (0.57) TOP1MAOBNPC1ALDH1A1HPGD
SCHEMBL7545914 0.74 TYR (0.49) TOP1MAOBNPC1ALDH1A1HPGD
SCHEMBL7552734 0.73 MAPT (0.41) MAOBMAOA
SCHEMBL316203 0.72 MAOB (0.69) TOP1MAOBNPC1ALDH1A1HPGD
SCHEMBL24701048 0.72 TOP1 (0.71) TOP1MAOBNPC1ALDH1A1HPGD
SCHEMBL6670897 0.71 STK17B (0.47) MAOBALDH1A1SMN1; SMN2NPSR1MAOA
SCHEMBL8029251 0.71 MAOB (0.61) TOP1MAOBNPC1ALDH1A1HPGD
SCHEMBL6836955 0.70 MAOB (0.81) MAOBNPC1ALDH1A1HPGDNFKB1

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 12 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 claimed
EP-0977747-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-02-09 EP claimed
WO-1998039319-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO claimed
US-5726295-A Photoactive coumarin derivatives HOECHST CELANESE CORP. (US) 1998-03-10 US claimed
EP-0968202-B1 Process for preparing photoactive coumarin dervatives CLARIANT FINANCE BVI LTD (VG) 2002-07-03 EP disclosed
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
EP-0968202-A1 PROCESS FOR PREPARING PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-01-05 EP disclosed
WO-1998039317-A1 PROCESS FOR PREPARING PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
WO-1998039319-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
US-5726296-A PHOTORESISTS HOECHST CELANESE CORP. (US) 1998-03-10 US disclosed
US-5726295-A Photoactive coumarin derivatives HOECHST CELANESE CORP. (US) 1998-03-10 US disclosed