SCHEMBL8664094

SCHEMBL8664094

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
CYP2C19 P33261 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL8421520 0.92 KCNH2 (0.59) KCNH2CRHBPCRHR2CYP2C19LMNA
SCHEMBL17029337 0.90 ALDH1A1 (0.57) KCNH2CRHBPCRHR2CYP2C19LMNA
SCHEMBL9344808 0.80 CA1 (0.64) KCNH2ALDH1A1
SCHEMBL463691 0.80 KCNH2 (0.49) KCNH2KDM4EHRH3SMN1; SMN2
SCHEMBL7367941 0.79 KCNH2 (0.51) KCNH2CRHBPCRHR2CYP2C19LMNA
SCHEMBL17713993 0.79 ALDH1A1 (0.52) KCNH2CRHBPCRHR2CYP2C19LMNA
SCHEMBL7564337 0.79 TDP1 (0.58) CYP2C19LMNATSHRTDP1KDM4E
SCHEMBL15864626 0.78 CYP1A2 (0.44) KCNH2CRHBPCRHR2LMNATSHR
SCHEMBL3152617 0.78 PYCR1 (0.59) KCNH2CRHBPCRHR2CYP2C19LMNA
SCHEMBL15392240 0.78 LOXL2 (0.59) KCNH2CRHBPCRHR2CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570574-B1 BICYCLOPOLYAZAMACROCYCLOPHOSPHONIC ACID COMPLEXES, THEIR PREPARATION, CONJUGATES AND RADIOPHARMACEUTICALS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5714631-A FOR DELIVERING THERAPEUTIC RADIATION DOSES TO CALCIFIC TUMORS AND METASTATIC BONE CANCER THE DOW CHEMICAL COMPANY (US) 1998-02-03 US disclosed
US-5696239-A BINDING TO ANTIBODIES; DIAGNOSIS, THERAPY TUMORS; RELIEF OFBONE PAIN THE DOW CHEMICAL COMPANY (US) 1997-12-09 US disclosed
US-5652361-A ANTITUMOR THE DOW CHEMICAL COMPANY (US) 1997-07-29 US disclosed
EP-0566166-B1 Chelants possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1996-09-25 EP disclosed
EP-0570022-B1 Chelants possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1996-07-31 EP 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-5428139-A Anticarcinogenic agents THE DOW CHEMICAL COMPANY (US) 1995-06-27 US disclosed
EP-0367223-B1 Chelants possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1995-04-26 EP disclosed
EP-0353450-B1 Macrocyclic bifunctional chelants, complexes thereof and their antibody conjugates DOW CHEMICAL CO (US) 1995-03-29 EP disclosed
EP-0575583-A4 BICYCLOPOLYAZAMACROCYCLOCARBOXYLIC ACID COMPLEXES, THEIR CONJUGATES PROCESSES FOR THEIR PREPARATION, AND USE AS RADIOPHARMACEUTICALS. DOW CHEMICAL CO (US) 1995-02-15 EP disclosed
WO-1994026315-A1 BICYCLOPOLYAZAMACROCYCLOCARBOXYLIC ACID COMPLEXES, THEIR CONJUGATES, PROCESSES FOR THEIR PREPARATION, AND USE AS RADIOPHARMACEUTICALS THE DOW CHEMICAL COMPANY (US) 1994-11-24 WO disclosed
US-5342604-A Bone disorders THE DOW CHEMICAL COMPANY (US) 1994-08-30 US disclosed
EP-0575583-A1 BICYCLOPOLYAZAMACROCYCLOCARBOXYLIC ACID COMPLEXES, THEIR CONJUGATES PROCESSES FOR THEIR PREPARATION, AND USE AS RADIOPHARMACEUTICALS THE DOW CHEMICAL COMPANY (US) 1993-12-29 EP disclosed
EP-0570022-A2 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (US) 1993-11-18 EP disclosed
EP-0566166-A1 Chelants possessing ortho ligating functionality and complexes thereof THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) 1993-10-20 EP disclosed
WO-1993012112-A1 BICYCLOPOLYAZAMACROCYCLOCARBOXYLIC ACID COMPLEXES, THEIR CONJUGATES PROCESSES FOR THEIR PREPARATION, AND USE AS RADIOPHARMACEUTICALS THE DOW CHEMICAL COMPANY (US) 1993-06-24 WO disclosed
EP-0420942-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
WO-1989012631-A1 MACROCYCLIC BIFUNCTIONAL CHELANTS, COMPLEXES THEREOF AND THEIR ANTIBODY CONJUGATES THE DOW CHEMICAL COMPANY (US) 1989-12-28 WO disclosed