SCHEMBL6548611

SCHEMBL6548611

COc1ccc(N)cc1CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.53
RAD52 P43351 1/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8665588 0.81 ACHE (0.68) GFERKDM4EALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL7563307 0.81 NR1H2 (0.55) TACR1L3MBTL1KDM4EKMT2ALMNA
SCHEMBL21044159 0.81 MEN1 (0.70) KDM4EALDH1A1KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL7563158 0.80 KDM4E (0.64) TACR1RAD52GFERL3MBTL1KDM4E
SCHEMBL8718280 0.80 KCNJ1 (0.61) TACR1L3MBTL1NPC1KDM4EALDH1A1
SCHEMBL21044005 0.79 MEN1 (0.57) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL30218435 0.79 MEN1 (0.57) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL27249206 0.78 MEN1 (0.67) KDM4EALDH1A1KMT2ALMNAMEN1
SCHEMBL922423 0.78 HTT (0.55) TACR1L3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL9185135 0.77 CYP1A2 (0.59) TACR1L3MBTL1KDM4ELMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2831073-B2 1998-12-02 JP claimed
US-5652361-A ANTITUMOR THE DOW CHEMICAL COMPANY (US) 1997-07-29 US claimed
US-5435990-A Chelate-antibody complexes, treatment and diagnosis of cancer, tetraazacyclododecane compounds THE DOW CHEMICAL COMPANY (US) 1995-07-25 US claimed
EP-0353450-B1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates DOW CHEMICAL CO (US) 1995-03-29 EP claimed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP claimed
WO-1990007342-A1 PROCESS FOR PREPARING ISOTHIOCYANATO FUNCTIONALIZED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO claimed
EP-0374947-A1 Process for preparing isothiocyanato functionalized metal complexes THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP claimed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 WO claimed
EP-0783326-B1 PROCESS FOR PREPARING MACROCYCLIC CHELATING AGENTS AND FORMATION OF CHELATES AND CONJUGATES THEREOF DOW CHEMICAL CO (US) 2004-02-04 EP disclosed
US-5756065-A DIAGNOSTIC CHELATES FOR ANTIBODIES AND RADIOACTIVE MATERIALS THE DOW CHEMICAL COMPANY (US) 1998-05-26 US disclosed
US-5652361-A ANTITUMOR THE DOW CHEMICAL COMPANY (US) 1997-07-29 US disclosed
EP-0783326-A1 PROCESS FOR PREPARING MACROCYCLIC CHELATING AGENTS AND FORMATION OF CHELATES AND CONJUGATES THEREOF THE DOW CHEMICAL COMPANY (US) 1997-07-16 EP disclosed
US-5505931-A ISOTHIOCYANATE CONTAINING ANHYDRIDE COMPOUNDS; USEFUL FOR CONTROLLED RELEASE OF NUCLEOPHILIC GROUP OF DIAGNOSTIC OR THERAPEUTIC AGENT THE DOW CHEMICAL COMPANY (US) 1996-04-09 US disclosed
WO-1996007435-A1 PROCESS FOR PREPARING MACROCYCLIC CHELATING AGENTS AND FORMATION OF CHELATES AND CONJUGATES THEREOF THE DOW CHEMICAL COMPANY (US) 1996-03-14 WO disclosed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
US-5006643-A Reacting aminofunctional chelates with thiophosgene THE DOW CHEMICAL COMPANY (US) 1991-04-09 US disclosed
WO-1990007342-A1 PROCESS FOR PREPARING ISOTHIOCYANATO FUNCTIONALIZED METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO disclosed
EP-0374947-A1 Process for preparing isothiocyanato functionalized metal complexes THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP disclosed
EP-0353450-A1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates THE DOW CHEMICAL COMPANY (US) 1990-02-07 EP disclosed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 WO disclosed