SCHEMBL28529684

SCHEMBL28529684

O=C(C[N+](=O)[O-])Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
FABP4 P15090 1/20 0.50
S1PR4 O95977 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.41
P2RY1 P47900 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
SCHEMBL1551584 0.83 MAPT (0.57) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL11763476 0.82 KMT2A (0.59) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL8512871 0.78 CYP3A4 (0.61) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL10995578 0.78 TSHR (0.64) FABP4MEN1KMT2AALDH1A1MAPT
SCHEMBL4010543 0.77 ACP1 (0.58) ACP1L3MBTL1FABP4MEN1KMT2A
SCHEMBL11527210 0.77 KMT2A (0.68) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL4008576 0.75 ACP1 (0.59) ACP1L3MBTL1FABP4MEN1KMT2A
SCHEMBL11355076 0.75 TSHR (0.54) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL11348484 0.74 MEN1 (0.61) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL27546640 0.74 HPGD (0.61) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-112374996-A Preparation method of 3, 5-dichloro o-phenylenediamine 宁夏大学 2021-02-19 CN claimed
CN-112374996-A Preparation method of 3, 5-dichloro o-phenylenediamine 宁夏大学 2021-02-19 CN disclosed