SCHEMBL7545914

SCHEMBL7545914

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.49
STK17B O94768 2/20 0.47
TOP1 P11387 2/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
ESR1 P03372 2/20 0.40
UGT1A1 P22309 1/20 0.40
ESR2 Q92731 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL7549906 0.87 TYR (0.51) TYRSTK17BRAB9AMAPTMEN1
SCHEMBL11219422 0.81 TYR (0.54) TYRSTK17BTOP1RAB9AMAPT
SCHEMBL7578571 0.79 STK17B (0.39) TYRSTK17BRAB9AMAPTALDH1A1
SCHEMBL28936587 0.79 TYR (0.53) TYRSTK17BTOP1RAB9AMAPT
SCHEMBL29391946 0.79 TYR (0.53) TYRSTK17BTOP1RAB9AMAPT
SCHEMBL6670897 0.78 STK17B (0.47) TYRSTK17BALDH1A1MEN1KMT2A
SCHEMBL6671599 0.77 MAOA (0.32) STK17BALDH1A1MAOAMAOBHSD17B10
SCHEMBL7546181 0.74 TOP1 (0.49) TOP1RAB9AALDH1A1MEN1KMT2A
SCHEMBL7567696 0.72 STK17B (0.42) TYRSTK17BALDH1A1MEN1KMT2A
SCHEMBL7547313 0.69 TYR (0.47) TYRTOP1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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