SCHEMBL8953732

SCHEMBL8953732

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACE P12821 1/20 0.40
IDO1 P14902 1/20 0.40
AKR1C3 P42330 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7509712 0.83 MMP1 (0.53) MMP1MEN1KMT2ALMNACA2
SCHEMBL7509723 0.83 MMP1 (0.53) MMP1MEN1KMT2ALMNACA2
SCHEMBL4365310 0.82 LMNA (0.50) MEN1KMT2ALMNACA2TSHR
SCHEMBL1857683 0.82 LMNA (0.50) MEN1KMT2ALMNACA2TSHR
SCHEMBL8953727 0.82 LMNA (0.50) MEN1KMT2ALMNACA2TSHR
SCHEMBL1857686 0.82 LMNA (0.50) MEN1KMT2ALMNACA2TSHR
SCHEMBL7395217 0.82 ACE (0.49) MMP1MEN1KMT2ALMNACA2
SCHEMBL8323546 0.81 SLC7A5 (0.49) ACE
SCHEMBL352986 0.81 SRR (0.59) ACE
SCHEMBL28278431 0.81 SRR (0.59) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed