SCHEMBL7206840

SCHEMBL7206840

O=[N+]([O-])c1cc(OCCCl)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RAF1 P04049 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
PAX8 Q06710 1/20 0.47
VCAM1 P19320 12/20 0.46
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9513657 0.86 MAPT (0.56) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL14290088 0.86 MAPT (0.64) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL5458467 0.86 VCAM1 (0.49) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL6825768 0.83 MAPT (0.56) MAPTLMNAALDH1A1HPGDMAPK1
SCHEMBL11439028 0.83 MAPT (0.50) MAPTLMNAALDH1A1HPGDMAPK1
SCHEMBL4949648 0.82 MAPT (0.62) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL1181285 0.81 ALDH1A1 (0.44) MAPTLMNAALDH1A1RAF1HPGD
SCHEMBL5067747 0.81 PIN1 (0.54) VCAM1
SCHEMBL2969471 0.80 ALDH1A1 (0.52) MAPTLMNAALDH1A1HPGDMAPK1
SCHEMBL14453653 0.80 KDM4E (0.56) MAPTALDH1A1VCAM1KDM4E

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-0923548-B1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A LIGANDS WYETH CORP (US) 2003-03-12 EP disclosed
EP-0923576-B1 4-AMINOETHOXY-INDOLONE DERIVATIVES AS DOPAMINE D2 AGONISTS WYETH CORP (US) 2002-11-06 EP disclosed
EP-0923551-B1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PROD (US) 2002-06-05 EP disclosed
US-5958965-A TREATMENT OF DISEASES ATTENDING DISTURBANCES IN THE SEROTINERGIC SYSTEMS, SUCH AS ANXIETY, STRESS, DEPRESSION, SEXUAL DYSFUNCTIONS AND SLEEP DISTURBANCES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-28 US disclosed
EP-0923576-A1 4-AMINOETHOXY-INDOLONE DERIVATIVES AS DOPAMINE D2 AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
EP-0923551-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
EP-0923548-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT 1A? LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-06-23 EP disclosed
US-5817690-A ANTIDOPAMINE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-10-06 US disclosed
US-5760070-A TREATMENT OF PSYCHOLOGICAL DISORDERS, TOURETTE'S SYNDROME, ALCOHOL OR DRUG ADDICTION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-02 US disclosed
WO-1998008819-A1 4-AMINOETHOXY INDOLONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed
WO-1998008843-A1 4-AMINOETHOXY-INDOLONE DERIVATIVES AS DOPAMINE D2 AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed
WO-1998008817-A1 4-AMINOETHOXY INDOLES AS DOPAMIN D2 AGONISTS AND AS 5HT1A LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-05 WO disclosed