SCHEMBL6576154

SCHEMBL6576154

COc1c([N+](=O)[O-])ccc(Cl)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
ALDH1A1 P00352 4/20 0.44
TSHR P16473 4/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MERTK Q12866 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.40
VCAM1 P19320 3/20 0.40

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
SCHEMBL9799821 0.85 TDP1 (0.62) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL13721530 0.85 TDP1 (0.57) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL19783654 0.81 TDP1 (0.52) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL936742 0.80 TDP1 (0.60) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL6973058 0.80 ALDH1A1 (0.52) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL4864448 0.79 TDP1 (0.57) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL7351196 0.79 TSHR (0.49) TDP1ALDH1A1TSHRMAPTLMNA
SCHEMBL21295439 0.79 TSHR (0.44) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL31118308 0.79 TPMT (0.47) TDP1ALDH1A1TSHRMAPK1MAPT
SCHEMBL17744425 0.79 ALDH1A1 (0.47) TDP1ALDH1A1TSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
US-6071917-A ANALGESICS; ANTIINFLAMMATORY AGENTS; ESPECIALLY FOR THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; COMPETITIVE BINDING AT RECEPTORS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-06 US disclosed
EP-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 EP disclosed
US-5834500-A ADMINISTERING DERIVATIVES OF BENZYLOXY-BENZOTHIAZENES TO CONTROL RELEASE OF PROSTAGLANDINS, LEUKOTRIENES, HISTAMINES, TACHYKININS, THROMBOXANES; ANALGESICS, ANTIASTHMATIC, ANTIINFLAMMATORY, WOUND HEALING AND ANTITUMOR AGENTSAGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 WO disclosed