SCHEMBL8113259

SCHEMBL8113259

COC(=O)C(C)c1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ELANE P08246 2/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
CTRB1 P17538 1/20 0.38
PKM P14618 2/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL12868738 0.82 TXNRD1 (0.41) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL8119056 0.76 MMP9 (0.43) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6593247 0.75 KMT2A (0.40) LMNASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL8117700 0.74 POLB (0.41) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL31554662 0.72 LMNA (0.44) LMNASMN1; SMN2CYP1A2ALDH1A1MAPT
SCHEMBL2966691 0.72 TXNRD1 (0.38) LMNASMN1; SMN2POLBCYP1A2ALDH1A1
SCHEMBL30999993 0.72 DYRK1A (0.51) SMN1; SMN2POLBCYP1A2ALDH1A1MAPT
SCHEMBL27367126 0.72 KMT2A (0.46) LMNASMN1; SMN2POLBCYP1A2ALDH1A1
SCHEMBL4040996 0.71 SMN1; SMN2 (0.46) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL31165708 0.71 SMN1; SMN2 (0.46) LMNASMN1; SMN2POLBALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726268-B1 Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-11-02 EP disclosed
EP-0726268-A1 Substituted benzisoxazole and benzisothiazole herbicidal agents American Cyanamid Company (US) 1996-08-14 EP disclosed
US-5523278-A PRE- AND POST-EMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5484763-A Substituted benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed