SCHEMBL7219266

SCHEMBL7219266

CC(C)(C)[S+]([O-])c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
MAPT P10636 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 2/20 0.60
PKM P14618 2/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
PPARG P37231 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
RORC P51449 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL7217674 0.81 HPGD (0.53) KMT2AMEN1SMN1; SMN2LMNATP53
SCHEMBL6811505 0.78 KMT2A (0.74) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL10836873 0.77 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL17699316 0.77 KMT2A (0.72) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL10971067 0.76 KMT2A (0.67) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL28493356 0.76 KMT2A (0.71) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL29369092 0.76 RORC (1.00) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL1456273 0.76 MAPT (0.71) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL420231 0.76 RORC (1.00) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL5079427 0.76 MAPT (0.71) KMT2AMEN1MAPTSMN1; SMN2LMNA

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed