SCHEMBL8643545

SCHEMBL8643545

CCCC(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CES2 O00748 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11113945 0.79 TDP1 (0.47) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL9026753 0.76 GRM8 (0.48) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL9026746 0.74 TDP1 (0.46) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL20623073 0.74 TDP1 (0.46) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL6841595 0.73 MAPK1 (0.44) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL2818967 0.72 GRM8 (0.51) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL10895136 0.72 TDP1 (0.50) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL4197252 0.72 CYP1A2 (0.50) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL6841592 0.72 TDP1 (0.44) GRM8GRM4CYP1A2TDP1ALDH1A1
SCHEMBL31248053 0.72 CYP1A2 (0.50) GRM8GRM4CYP1A2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5851778-A Analyte assay using a trifunctional conjugate BECKMAN INSTRUMENTS, INC. (US) 1998-12-22 US disclosed
US-5661019-A USEFUL IN IMMUNOASSYS AND FOR TARGETED LABELING OF PROTEINS BECKMAN INSTRUMENTS, INC. (US) 1997-08-26 US disclosed
US-5168057-A Trifunctional conjugates BECKMAN INSTRUMENTS, INC. (US) 1992-12-01 US disclosed
WO-1989003041-A2 TRIDENTATE CONJUGATE AND METHOD OF USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1989-04-06 WO disclosed
EP-0310361-A2 Tridentate conjugate and method of use thereof BECKMAN INSTRUMENTS, INC. (US) 1989-04-05 EP disclosed