SCHEMBL28528656

SCHEMBL28528656

O=[N+]([O-])c1nc2ccccc2c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 2/20 0.44
GLA P06280 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 8/20 0.44
TSHR P16473 1/20 0.43
S100A4 P26447 1/20 0.43
GUSB P08236 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TNKS O95271 1/20 0.41
NLRP3 Q96P20 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
SCHEMBL8561932 0.84 KDM4E (0.46) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL20291524 0.84 CYP3A4 (0.61) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8211008 0.81 KMT2A (0.46) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28579892 0.80 S100A4 (0.50) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8567950 0.80 CYP3A4 (0.47) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11667039 0.78 MAPT (0.48) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL21632212 0.76 MAOA (0.53) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8564523 0.76 KDM4E (0.53) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL21632211 0.75 CYP3A4 (0.50) CYP3A4KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8564301 0.75 KDM4E (0.47) CYP3A4KMT2AMEN1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150144-A Tumor necrosis factor-like ligand 1A specific antibody, and composition and application thereof 辉瑞大药厂 2021-07-23 CN disclosed
CN-105814081-B Tumor necrosis factor-like ligand 1A specific antibody, and composition and application thereof 辉瑞大药厂 2021-02-02 CN disclosed