SCHEMBL8096572

SCHEMBL8096572

O=[N+]([O-])c1ccc(Cc2ccc(CCCCCCc3ccc(Cc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.60
KCNH2 Q12809 2/20 0.58
KCNJ1 P48048 2/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CHRM2 P08172 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 2/20 0.48

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
SCHEMBL18913824 0.92 TSHR (0.69) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL8094543 0.90 POLB (0.68) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL30758863 0.87 TSHR (0.69) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL8094050 0.87 POLB (0.76) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL44366 0.87 POLB (0.76) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL8087428 0.87 POLB (0.76) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL10608769 0.86 TSHR (0.58) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL10610874 0.86 TSHR (0.58) POLBTSHRKCNH2KCNJ1LOXL2
SCHEMBL1163877 0.86 SIGMAR1 (0.65) TSHRKCNH2KCNJ1LOXL2SIGMAR1
SCHEMBL10607589 0.86 TSHR (0.58) POLBTSHRKCNH2KCNJ1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed