SCHEMBL29470853

SCHEMBL29470853

COc1ccc(NS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 3/20 0.64
KEAP1 Q14145 4/20 0.60
NFE2L2 Q16236 3/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
SQSTM1 Q13501 1/20 0.58
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL8752415 1.00 MAPT (0.65) MAPTSMN1; SMN2MEN1KMT2ALMNA
Water SCHEMBL29037310 0.96 MAPT (0.61) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28702766 0.94 PGR (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708265 0.93 MAPT (0.62) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708243 0.91 KEAP1 (0.65) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7533314 0.90 KEAP1 (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL6831954 0.90 MAPT (0.71) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7534285 0.89 ALDH3A1 (0.63) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708322 0.89 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL21708362 0.88 LMNA (0.58) MAPTSMN1; SMN2MEN1KMT2ALMNA

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-114213261-A Preparation method of 4-methoxy-2-nitroaniline 山东第一医科大学(山东省医学科学院) 2022-03-22 CN claimed
CN-114213261-A Preparation method of 4-methoxy-2-nitroaniline 山东第一医科大学(山东省医学科学院) 2022-03-22 CN disclosed