SCHEMBL4622953

SCHEMBL4622953

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
EPHX1 P07099 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 3/20 0.43
MMP2 P08253 2/20 0.43
BACE1 P56817 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL4095860 0.82 CA2 (0.47) KMT2AMEN1EPHX1CA2NPC1
SCHEMBL16684123 0.82 CA2 (0.49) KMT2AMEN1EPHX1CA2NPC1
SCHEMBL10437254 0.81 CA2 (0.46) KMT2AMEN1EPHX1CA2NPC1
SCHEMBL6100381 0.81 CA2 (0.46) KMT2AMEN1EPHX1CA2NPC1
SCHEMBL18444555 0.78 CA2 (0.54) KMT2AMEN1EPHX1CA2NPC1
SCHEMBL20454423 0.78 CA2 (0.54) KMT2AMEN1EPHX1CA2NPC1
SCHEMBL463120 0.77 MMP2 (0.64) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL4622948 0.77 MMP2 (0.64) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL4622957 0.77 MMP2 (0.64) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL6891119 0.77 CA2 (0.47) KMT2AMEN1EPHX1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157004-A1 REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES IDEC PHARMACEUTICALS CORPORATION (US) 2001-11-28 EP claimed
US-6207858-B1 ELIMINATES THE NEED FOR ION EXCHANGE CHROMOTOGRAPHIC SEPARATION OF INTERMEDIATES, USEFUL AS BI-FUNCTIONAL CHELATORS IN RADIOIMMUNOTHERAPY AND IMAGING, DIETHYLENETRIAMINEPENTAACETIC ACID (DTPA), SUITABLE FOR IDEC PHARMACEUTICALS CORPORATION 2001-03-27 US claimed
WO-2000051976-A1 REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES IDEC PHARMACEUTICALS CORPORATION (US) 2000-09-08 WO claimed
EP-1157004-B1 Composition comprising MX-DTPA and its use to produce a radiolabeled MX-DTPA BIOGEN IDEC INC (US) 2008-05-21 EP disclosed
EP-1157004-A1 REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES IDEC PHARMACEUTICALS CORPORATION (US) 2001-11-28 EP disclosed
US-6207858-B1 ELIMINATES THE NEED FOR ION EXCHANGE CHROMOTOGRAPHIC SEPARATION OF INTERMEDIATES, USEFUL AS BI-FUNCTIONAL CHELATORS IN RADIOIMMUNOTHERAPY AND IMAGING, DIETHYLENETRIAMINEPENTAACETIC ACID (DTPA), SUITABLE FOR IDEC PHARMACEUTICALS CORPORATION 2001-03-27 US disclosed
WO-2000051976-A1 REGIOSELECTIVE SYNTHESIS OF DTPA DERIVATIVES IDEC PHARMACEUTICALS CORPORATION (US) 2000-09-08 WO disclosed