SCHEMBL9307922

SCHEMBL9307922

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
TSHR P16473 1/20 0.50
IDO1 P14902 4/20 0.49
ALDH1A1 P00352 2/20 0.48
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 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
SCHEMBL18387787 0.84 TSHR (0.52) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL776520 0.81 LOXL2 (0.57) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL75530 0.81 LOXL2 (0.55) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL7107843 0.78 LOXL2 (0.52) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL1627332 0.78 TSHR (0.53) LOXL2TSHRIDO1ALDH1A1ACHE
SCHEMBL97944 0.78 LOXL2 (0.52) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL18387801 0.76 LOXL2 (0.50) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL7107845 0.76 LOXL2 (0.50) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL27597568 0.76 LOXL2 (0.50) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL9308189 0.76 LOXL2 (0.50) LOXL2TSHRIDO1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417870-B1 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy DIAGNOSTIKFORSCHUNG INST (DE) 1994-07-20 EP disclosed
US-5302370-A Form complexes with rhenium and technetium INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-12 US disclosed
EP-0502594-A1 Chelates, their metal complexes as well as their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1992-09-09 EP disclosed
EP-0417870-A2 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1991-03-20 EP disclosed