SCHEMBL3925907

SCHEMBL3925907

O=C(Oc1c[nH]c2ccccc12)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.64
MAPK1 P28482 1/20 0.55
PBRM1 Q86U86 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
NR4A2 P43354 2/20 0.45
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
LMNA P02545 1/20 0.42
ALOX5 P09917 1/20 0.42
AHR P35869 1/20 0.42
STING1 Q86WV6 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
SCHEMBL27623623 0.84 SLC22A6 (0.69) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL27790479 0.84 MAPK1 (0.52) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL28768822 0.81 SLC22A6 (0.70) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL2704556 0.81 SLC22A6 (0.74) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL27729377 0.81 SLC22A6 (0.74) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL31181908 0.80 SLC22A6 (0.59) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL23295617 0.80 SLC22A6 (0.72) SLC22A6MAPK1PBRM1GPR84NR4A2
SCHEMBL1831734 0.80 SLC22A6 (0.72) SLC22A6PBRM1GPR84NR4A2CREBBP
SCHEMBL2936460 0.79 TRPA1 (0.46) SLC22A6MAPK1ALDH1A1LMNAAHR
Indole Acetate SCHEMBL15553 0.78 SLC22A6 (1.00) SLC22A6PBRM1GPR84NR4A2CREBBP

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO claimed
EP-1945305-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRANE DISCOVERY S.R.L. (IT) 2008-07-23 EP claimed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO claimed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP claimed
EP-1648881-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GlaxoSmithKline S.p.A. (IT) 2006-04-26 EP claimed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO claimed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 WO claimed
CN-114057759-B Fused tetracyclic derivative, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-05-16 CN disclosed
CN-113121527-A Tricyclic compound and use thereof 上海辉启生物医药科技有限公司 2021-07-16 CN disclosed
CN-106459055-B Difunctional cytotoxic drug agent PFIZER INC. (US) 2019-11-01 CN disclosed
CN-106459055-A Bifunctional cytotoxic agents 辉瑞大药厂 2017-02-22 CN disclosed
CN-105120863-A Alkylamine peganine derivatives for promoting bone growth OSTEOQC INC 2015-12-02 CN disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
WO-2007048847-A2 INDOLE AND AZAINDOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES NIKEM RESEARCH S.R.L. (IT) 2007-05-03 WO disclosed
EP-1750687-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2007-02-14 EP disclosed
EP-1648881-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GlaxoSmithKline S.p.A. (IT) 2006-04-26 EP disclosed
WO-2005105213-A2 INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION NIKEM RESEARCH S.R.L. (IT) 2005-11-10 WO disclosed
WO-2005005411-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR GLAXOSMITHKLINE S.P.A. (IT) 2005-01-20 WO disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed