SCHEMBL11717375

SCHEMBL11717375

NC(=NO)c1ccc(Oc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPSE Q9Y251 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TLR4 O00206 3/20 0.40
▸ TLR2 O60603 3/20 0.40
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 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
SCHEMBL2274722 0.82 KDM4E (0.55) KDM4EALDH1A1HPSEXDHKMT2A
SCHEMBL11716990 0.78 CRHBP (0.53) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL21072635 0.78 XDH (0.58) KDM4EALDH1A1HPSEXDHTDP1
SCHEMBL27354736 0.77 PARP10 (0.50) KDM4EF10ALDH1A1HPSEXDH
SCHEMBL10717379 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HPSEXDHKMT2A
SCHEMBL1602832 0.76 MAPK1 (0.51) KDM4EALDH1A1HPSEXDHKMT2A
SCHEMBL476349 0.76 ALDH1A1 (0.58) KDM4EALDH1A1KMT2AMEN1TTR
SCHEMBL10548093 0.75 CTSD (0.56) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL13646974 0.75 CTSD (0.56) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL2270511 0.75 XDH (0.46) KDM4EALDH1A1HPSEXDHKMT2A

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-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 — — US disclosed
Send feedback