SCHEMBL6973205

SCHEMBL6973205

O=CNc1ccccc1OCOc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR7 P34969 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 2/20 0.38
GRM4 Q14833 2/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11436682 0.84 MEN1 (0.43) TSHRKMT2AMEN1KDM4ERAB9A
SCHEMBL7981828 0.81 ALDH1A1 (0.52) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL7525333 0.76 ALDH1A1 (0.57) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL1116450 0.74 TSHR (0.47) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL31175416 0.74 TSHR (0.47) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL8957741 0.73 ALDH1A1 (0.54) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL2444693 0.73 BRD4 (0.58) TSHRL3MBTL1TDP1RAB9ANPC1
SCHEMBL11432026 0.73 KDM4E (0.45) L3MBTL1KMT2AMEN1KDM4ETDP1
SCHEMBL226503 0.72 KMT2A (0.57) TSHRL3MBTL1KMT2AMEN1KDM4E
SCHEMBL22748166 0.72 TSHR (0.41) TSHRL3MBTL1KMT2AMEN1TDP1

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 16 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
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
US-5916889-A ANTIDIABETIC AGENT; DIETETICS NOVO NORDISK A/S (DK) 1999-06-29 US disclosed
US-5916901-A CLINICAL TREATMENT OF PAINFUL, HYPERALGESIC, INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE BY ELICITING NEUROGENIC PAIN NOVO NORDISK A/S (DK) 1999-06-29 US disclosed
US-5917047-A CLINICAL TREATMENT OF PAINFUL, HYPERALGESIC, INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE BY ELICITING NEUROGENIC PAIN NOVO NORDISK A/S (DK) 1999-06-29 US disclosed
US-5912262-A Heterocyclic compounds NOVO NORDISH A/S (DK) 1999-06-15 US disclosed
EP-0851865-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-07-08 EP disclosed
US-5753678-A Heterocyclic compounds NOVO NORDISK A/S (DK) 1998-05-19 US 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