SCHEMBL9007832

SCHEMBL9007832

O=c1[nH]c2cc(F)ccc2c(=O)cc1O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.65
DDO Q99489 2/20 0.65
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
FEN1 P39748 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PARP1 P09874 3/20 0.48
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46

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
SCHEMBL9389777 0.86 DAO (0.65) DAODDOLMNAHPGDFEN1
SCHEMBL7350621 0.79 DAO (0.65) DAOLMNAHPGDALDH1A1KDM4E
SCHEMBL9387738 0.79 DAO (0.65) DAODDOLMNAALDH1A1KDM4E
SCHEMBL9007836 0.79 METAP2 (0.49) DAODDOLMNAHPGD
SCHEMBL9387925 0.79 DAO (0.53) DAODDO
SCHEMBL3395521 0.79 DAO (1.00) DAODDOKDM4E
SCHEMBL2639080 0.77 DAO (0.61) DAODDOLMNAHPGDALDH1A1
SCHEMBL8873789 0.76 KDM4E (0.67) DAODDOLMNAHPGDFEN1
SCHEMBL9388968 0.76 KIF11 (0.49) DAODDOHPGDALDH1A1KDM4E
SCHEMBL9392647 0.76 FASN (0.47) DAODDO

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-0517876-B1 THERAPEUTIC BENZAZEPINE COMPOUNDS ZENECA LTD (GB) 1996-10-23 EP claimed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US claimed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP claimed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO claimed
EP-0517876-B1 THERAPEUTIC BENZAZEPINE COMPOUNDS ZENECA LTD (GB) 1996-10-23 EP disclosed
US-5541319-A REACTING SUBSTITUTED BENZAZEPINE ETHER WITH BORON TRIHALIDE TO FORM HYDROXY GROUP, FORMING SALT WITH BASE IF DESIRED ZENECA LIMITED (GB) 1996-07-30 US disclosed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US disclosed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP disclosed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 WO disclosed