SCHEMBL30740973

SCHEMBL30740973

CCOC(=O)c1c[nH]c(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.43
PRKCZ Q05513 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
CACNA1D Q01668 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL30741069 0.88 KDM4E (0.41) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL30740948 0.87 EIF4E (0.44) ARMAPTLMNAALDH1A1GAA
SCHEMBL30741014 0.82 EIF4E (0.45) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL30741043 0.82 KDM4E (0.47) ARMAPTLMNAALDH1A1GAA
SCHEMBL30740940 0.81 JAK2 (0.42) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL276058 0.80 MAPT (0.47) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL276916 0.80 ALDH1A1 (0.44) ARMAPTLMNAALDH1A1GAA
SCHEMBL30741020 0.79 AR (0.51) ARMAPTPRKCZALDH1A1GAA
SCHEMBL9979815 0.79 AR (0.64) ARMAPTPRKCZGAASMN1; SMN2
SCHEMBL7640668 0.77 MAPT (0.57) ARMAPTPRKCZGAASMN1; SMN2

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-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed