SCHEMBL27877832

SCHEMBL27877832

CC(C)(C)OC(N)=O.O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
PAX8 Q06710 1/20 0.42
CYP19A1 P11511 1/20 0.41
CES2 O00748 1/20 0.41
MAPK14 Q16539 1/20 0.40

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
Acetamide SCHEMBL28075476 0.87 LMNA (0.53) LMNAALDH1A1MAPTSMN1; SMN2HTT
Methyl Alcohol SCHEMBL28094568 0.85 LMNA (0.56) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL2921288 0.85 LMNA (0.59) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL28203340 0.85 ALDH1A1 (0.47) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL28090586 0.83 MAPK1 (0.57) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL28090568 0.82 TSHR (0.55) ALDH1A1MAPTSMN1; SMN2HTTPOLB
SCHEMBL27843015 0.80 MAPT (0.45) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL28131587 0.78 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2HTTGAA
SCHEMBL25410674 0.78 NR3C2 (0.43) LMNAALDH1A1MAPTSMN1; SMN2HTT
Nitrobenzene SCHEMBL27619171 0.77 ALDH1A1 (0.53) LMNAALDH1A1MAPTSMN1; SMN2GAA

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
CN-102762206-A Homogeneous suspension of immunopotentiating compounds and uses thereof NOVARTIS AG 2012-10-31 CN disclosed