SCHEMBL6966321

SCHEMBL6966321

O=C1c2ccccc2OCOc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 1.00
TSHR P16473 1/20 1.00
ABCG2 Q9UNQ0 1/20 0.59
MAOB P27338 11/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CDC25B P30305 1/20 0.50
PTPRC P08575 1/20 0.49
MIF P14174 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.44
MAOA P21397 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
CYP19A1 P11511 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1649257 0.86 PKM (0.75) PKMTSHRABCG2MAOBKMT2A
SCHEMBL16369477 0.85 PKM (0.73) PKMTSHRABCG2MAOBMEN1
Hydrochloric Acid SCHEMBL28645247 0.84 PKM (0.72) PKMTSHRABCG2MAOBKMT2A
SCHEMBL7839871 0.84 PKM (0.70) PKMTSHRABCG2MAOBPTPRC
SCHEMBL31123684 0.82 PKM (0.68) PKMTSHRMAOBMEN1KMT2A
SCHEMBL86392 0.80 MAPT (0.67) PKMTSHRMAOBKMT2ATDP1
SCHEMBL29375440 0.80 MAPT (0.67) PKMTSHRMAOBKMT2ATDP1
SCHEMBL1664813 0.79 PTPRC (0.65) PKMTSHRABCG2MEN1KMT2A
SCHEMBL28709151 0.77 PKM (0.63) PKMTSHRMAOBMEN1KMT2A
SCHEMBL30295894 0.77 PKM (0.62) PKMTSHRMAOBMEN1KMT2A

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-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
EP-0851865-B1 12H-Dibenzo[d,g][1,3]dioxocine derivatives NOVO NORDISK AS (DK) 2002-07-17 EP disclosed
EP-0843666-B1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-05-16 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6017915-A Heterocyclic compounds NOVO NORDISK A/S (DK) 2000-01-25 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
US-5972925-A 1-(3-(2-CHLORO-12H-DIBENZO(D,G)(1,3,6)DIOXAZOCIN-12-YL)-1-PROP YL)-3-PIPERIDINECARBOXYLIC ACID, FOR EXAMPLE; TREATING NEUROGENIC PAIN (IN WHICH C-FIBERS PLAY A ROLE) OR INFLAMMATION SUCH AS MIGRAINE OR DIABETIC NEUROPATHY NOVO NORDISK A/S (DK) 1999-10-26 US disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed
WO-1997011071-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1997-03-27 WO disclosed