SCHEMBL10977960

SCHEMBL10977960

CCC(=O)Nc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
ALDH1A1 P00352 6/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 4/20 0.58
KCNMA1 Q12791 2/20 0.58
KMT2A Q03164 3/20 0.57
MAPK1 P28482 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL4479593 0.88 MAPT (0.55) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL31159595 0.87 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL27768183 0.87 RAB9A (0.62) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL9364781 0.87 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL8396995 0.86 NPC1 (0.72) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL27810682 0.85 KCNMA1 (0.53) RAB9ANPC1LMNAMAPTKCNMA1
SCHEMBL11591034 0.84 ALDH1A1 (0.67) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL1704376 0.84 ALDH1A1 (0.71) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL6004947 0.84 CYP1A2 (0.65) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL1532370 0.83 MAPT (0.66) RAB9ANPC1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540817-A Process for the preparation of 5-amino-2,4-dimethylacetanilide BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US claimed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 EP claimed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 EP claimed
CN-111302947-A Synthetic method of 3, 5-dimethylaniline 江苏宝灵化工股份有限公司 2020-06-19 CN disclosed
US-4540817-A Process for the preparation of 5-amino-2,4-dimethylacetanilide BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 EP disclosed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 EP disclosed