SCHEMBL28028923

SCHEMBL28028923

Cc1ccc2cccnc2c1C[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
PDE10A Q9Y233 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 8/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
HSP90AA1 P07900 2/20 0.44
NFKB1 P19838 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
MMP2 P08253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL28167281 0.82 PDE10A (0.47) LMNAPDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL28028924 0.82 PDE10A (0.47) LMNAPDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL28167249 0.82 PDE10A (0.47) LMNAPDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL21871907 0.77 LMNA (0.59) LMNASMN1; SMN2MAPTKDM4EHTT
SCHEMBL1011432 0.76 TSHR (0.56) LMNAPDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL28028248 0.74 PDE10A (0.57) LMNAPDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL28028252 0.73 MEN1 (0.54) LMNASMN1; SMN2MEN1KMT2AMAPT
Phenanthroline SCHEMBL11763410 0.73 MAPT (0.70) LMNAPDE10ASMN1; SMN2MEN1KMT2A
Phenanthroline SCHEMBL8685400 0.73 MAPT (0.70) LMNAPDE10ASMN1; SMN2MEN1KMT2A
Phenanthroline SCHEMBL8686231 0.73 MAPT (0.70) LMNAPDE10ASMN1; SMN2MEN1KMT2A

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-104860880-B The method of one kind 8 (nitromethyla) quinolines of synthesis 浙江工业大学 2017-07-28 CN disclosed
CN-104860880-A Method for synthesizing 8-(nitro methyl) quinoline compounds UNIV ZHEJIANG TECHNOLOGY 2015-08-26 CN disclosed