SCHEMBL11079650

SCHEMBL11079650

Nc1cccc2c1C([N+](=O)[O-])CCC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PDE7A Q13946 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2773405 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL21650396 0.73 KDM4E (0.37) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31567982 0.71 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL27552127 0.71 PDE7A (0.34) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7258318 0.70 HTR6 (0.34) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9055286 0.70 HTT (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7263603 0.70 SIRT1 (0.40) HSD17B10
SCHEMBL18540921 0.65 ACHE (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL21650388 0.65 ACHE (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14218716 0.65 KDM4E (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT

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-4465506-A Herbicidal N-[heterocyclicaminocarbonyl]-1H-indene and tetrahydronaphthalene sulfonamides E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-08-14 US disclosed
EP-0082681-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-06-29 EP disclosed