SCHEMBL8715048

SCHEMBL8715048

Nc1ccc(CN2CCNCCNCCNCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 12/20 0.68
HRH3 Q9Y5N1 2/20 0.68
MEN1 O00255 1/20 0.68
CHRM2 P08172 1/20 0.68
CHRM1 P11229 1/20 0.68
ADRA2C P18825 1/20 0.68
CCR2 P41597 1/20 0.68
CXCL12 P48061 1/20 0.68
BLM P54132 1/20 0.68
KMT2A Q03164 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
SIGMAR1 Q99720 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.59
PLK4 O00444 1/20 0.50

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
SCHEMBL1578113 0.98 SIGMAR1 (0.66) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL15651459 0.91 CXCR4 (0.77) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL1259387 0.90 CXCR4 (0.81) CXCR4HRH3MEN1CHRM2CHRM1
Bromide SCHEMBL1257550 0.88 CXCR4 (0.78) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL5573232 0.86 CXCR4 (0.78) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL15043631 0.84 CXCR4 (0.92) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14640062 0.84 CXCR4 (0.78) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL10690328 0.83 LMNA (0.80) CXCR4HRH3SIGMAR1ALDH1A1LMNA
SCHEMBL7856149 0.83 SIGMAR1 (0.61) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14478352 0.83 SIGMAR1 (0.53) CXCR4HRH3MEN1CHRM2CHRM1

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
EP-0296522-B1 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation DOW CHEMICAL CO (US) 1996-09-25 EP claimed
US-5489425-A RHODIUM COMPLEXES ATTACHED TO ANTIBODY OR FAB FRAGMENTS FOR THERAPY OR MEDICAL DIAGNOSIS; ANTICARCINOGENIC AND -TUMOR AGENTS; RADIOLOGY; IMMUNOLOGY THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
EP-0353450-B1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates DOW CHEMICAL CO (US) 1995-03-29 EP claimed
US-5284644-A Anticancer agent; therapy and diagnosis DOW CHEMICAL COMPANY, THE 1994-02-08 US claimed
US-5006643-A Reacting aminofunctional chelates with thiophosgene THE DOW CHEMICAL COMPANY (US) 1991-04-09 US claimed
US-4994560-A Radiotherapy, diagnosis THE DOW CHEMICAL COMPANY (US) 1991-02-19 US 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
EP-0296522-A2 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation THE DOW CHEMICAL COMPANY (US) 1988-12-28 EP claimed
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-0296522-B1 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation DOW CHEMICAL CO (US) 1996-09-25 EP disclosed
US-5489425-A RHODIUM COMPLEXES ATTACHED TO ANTIBODY OR FAB FRAGMENTS FOR THERAPY OR MEDICAL DIAGNOSIS; ANTICARCINOGENIC AND -TUMOR AGENTS; RADIOLOGY; IMMUNOLOGY THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
US-5435990-A Chelate-antibody complexes, treatment and diagnosis of cancer, tetraazacyclododecane compounds THE DOW CHEMICAL COMPANY (US) 1995-07-25 US disclosed
US-4994560-A Radiotherapy, diagnosis THE DOW CHEMICAL COMPANY (US) 1991-02-19 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
EP-0296522-A2 Functionalized polyamine chelants and rhodium complexes thereof and process for their preparation THE DOW CHEMICAL COMPANY (US) 1988-12-28 EP disclosed