SCHEMBL27367126

SCHEMBL27367126

CC(=O)OCc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.38
POLB P06746 4/20 0.38
PKM P14618 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
LMNA P02545 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
STAT1 P42224 1/20 0.37
TP53 P04637 1/20 0.36
ELANE P08246 2/20 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
SCHEMBL27545836 0.89 KMT2A (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL27545845 0.81 KMT2A (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL6586596 0.81 MAPT (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL8117700 0.80 POLB (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL17224014 0.79 CYP1A2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL27545851 0.78 SMN1; SMN2 (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL6585360 0.74 TXNRD1 (0.39) SMN1; SMN2ALDH1A1POLBLMNAHPGD
SCHEMBL30999993 0.73 DYRK1A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL5343713 0.73 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL6778003 0.72 DYRK1A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1POLB

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
CN-1055686-C Substituted Benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 2000-08-23 CN disclosed
CN-1136561-A Substituted Benzisoxazole and benzisothiazole herbicidal agents AMERICAN CYANAMID CO (US) 1996-11-27 CN disclosed