SCHEMBL32679986

SCHEMBL32679986

O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MGLL Q99685 1/20 0.52
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
CES2 O00748 2/20 0.49
CES1 P23141 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 2/20 0.46
TLR9 Q9NR96 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HCAR3 P49019 2/20 0.45
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.42

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
SCHEMBL10882419 0.86 MGLL (0.56) HTTMGLLCRHBPCRHR2CES2
SCHEMBL9507468 0.86 CRHBP (0.64) HTTCRHBPCRHR2CES2CES1
SCHEMBL7912447 0.77 MGLL (0.52) MGLLCRHBPCRHR2CES2ALDH1A1
SCHEMBL11877381 0.77 KCNH2 (0.47) HTTALDH1A1MEN1KMT2AATM
SCHEMBL2308066 0.77 ALDH1A1 (0.61) HTTMGLLCRHBPCRHR2CES2
SCHEMBL5954207 0.76 ALDH1A1 (0.50) MGLLCRHBPCRHR2CES2ALDH1A1
SCHEMBL9509458 0.76 TP53 (0.65) HTTCES2CES1ALDH1A1MEN1
SCHEMBL11674649 0.76 CRHBP (0.59) HTTCRHBPCRHR2CES2CES1
SCHEMBL21247872 0.75 ALDH1A1 (0.67) HTTMGLLCRHBPCRHR2CES2
SCHEMBL27539931 0.75 ALDH1A1 (0.51) HTTMGLLCRHBPCRHR2CES2

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-121591612-A Method for preparing nitroamide compounds by adopting microreactor 烟台泰和新材高分子新材料研究院有限公司 2026-03-03 CN disclosed