SCHEMBL8829950

SCHEMBL8829950

NCCNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
MMP2 P08253 2/20 0.46
KMT2A Q03164 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 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
SCHEMBL8136955 0.87 LMNA (0.48) LMNALOXL2MMP2KMT2ACNR1
SCHEMBL5000615 0.87 MMP2 (0.59) LMNALOXL2MMP2KMT2A
SCHEMBL6100385 0.87 MMP2 (0.59) LMNALOXL2MMP2KMT2A
SCHEMBL6893492 0.80 MMP8 (0.46)
SCHEMBL12793689 0.80 MMP2 (0.57) LMNAMMP2ALDH1A1SMN1; SMN2
SCHEMBL9308221 0.77 LOXL2 (0.53) LMNALOXL2KMT2AALDH1A1MEN1
SCHEMBL3091161 0.76 TSHR (0.53) LMNALOXL2KMT2AALDH1A1MEN1
SCHEMBL6100381 0.76 CA2 (0.46) LMNALOXL2MMP2KMT2AALDH1A1
SCHEMBL10437254 0.76 CA2 (0.46) LMNALOXL2MMP2KMT2AALDH1A1
SCHEMBL6522414 0.75 MMP2 (0.61) LMNALOXL2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650134-A Peptides NOVARTIS AG (FORMERLY SANDOZ LTD.) (CH) 1997-07-22 US disclosed
EP-0607103-A2 Somatostatin analogs containing chelating groups and their radiolabeled compositions SANDOZ LTD. (CH) 1994-07-20 EP disclosed