SCHEMBL9769684

SCHEMBL9769684

CN(C)S(=O)(=O)c1ccc(-n2oc(C(C)(C)C)c(CCl)c2=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
VCAM1 P19320 9/20 0.46
ALDH1A1 P00352 6/20 0.44
PKM P14618 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9769701 0.90 VCAM1 (0.50) HTTVCAM1ALDH1A1MEN1KMT2A
SCHEMBL10470481 0.84 HTT (0.35) HTTVCAM1ALDH1A1PKMPOLB
SCHEMBL9769718 0.80 KMT2A (0.43) MEN1KMT2ALMNA
SCHEMBL9769690 0.78 HTT (0.55) HTTVCAM1ALDH1A1PKMPOLB
SCHEMBL9587792 0.74 HTT (0.55) HTTVCAM1ALDH1A1PKMPOLB
SCHEMBL10468618 0.73 VCAM1 (0.56) HTTVCAM1ALDH1A1POLBKMT2A
SCHEMBL6932969 0.72 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL10469420 0.69 VCAM1 (0.34) VCAM1
SCHEMBL13871665 0.69 VCAM1 (0.47) HTTVCAM1ALDH1A1MEN1KMT2A
SCHEMBL9769695 0.69 VCAM1 (0.51) HTTVCAM1ALDH1A1MEN1KMT2A

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed