SCHEMBL9769690

SCHEMBL9769690

CN(C)S(=O)(=O)c1ccc(-n2oc(C(C)(C)C)cc2=O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.55
ALDH1A1 P00352 7/20 0.48
VCAM1 P19320 5/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 5/20 0.44
MAPT P10636 2/20 0.41
PTPN11 Q06124 1/20 0.37
GAA P10253 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9769695 0.88 VCAM1 (0.51) HTTALDH1A1VCAM1MEN1KMT2A
SCHEMBL9587792 0.85 HTT (0.55) HTTALDH1A1VCAM1POLBKDM4E
SCHEMBL9585420 0.81 GAA (0.45) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL9586675 0.78 GAA (0.52) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9769684 0.78 HTT (0.47) HTTALDH1A1VCAM1POLBKDM4E
SCHEMBL10468473 0.70 HTT (0.54) HTTALDH1A1VCAM1POLBKDM4E
SCHEMBL9587192 0.70 KAT2B (0.41) HTTALDH1A1KDM4EPKMMEN1
SCHEMBL10467384 0.70 VCAM1 (0.57) HTTALDH1A1VCAM1POLBKDM4E
SCHEMBL9587645 0.68 CYP1A2 (0.39) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL9769701 0.68 VCAM1 (0.50) HTTALDH1A1VCAM1MEN1KMT2A

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