SCHEMBL30572452

SCHEMBL30572452

O=C(O)c1c([N+](=O)[O-])ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
VCAM1 P19320 3/20 0.46
CASP6 P55212 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DPP4 P27487 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
FBP1 P09467 1/20 0.41
POLB P06746 2/20 0.40
DTYMK P23919 1/20 0.40

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
SCHEMBL3423996 1.00 TDP1 (0.49) TDP1L3MBTL1VCAM1CASP6TSHR
SCHEMBL1494625 0.87 DPP4 (0.50) TDP1L3MBTL1VCAM1TSHRMEN1
SCHEMBL16862931 0.85 TDP1 (0.52) TDP1L3MBTL1VCAM1CASP6TSHR
SCHEMBL4849618 0.85 TDP1 (0.55) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL6570089 0.84 TDP1 (0.47) TDP1L3MBTL1VCAM1TSHRMAPK1
SCHEMBL2030471 0.84 TDP1 (0.60) TDP1L3MBTL1VCAM1CASP6TSHR
SCHEMBL28781888 0.82 TDP1 (0.49) TDP1L3MBTL1VCAM1CASP6TSHR
SCHEMBL28121140 0.82 ALDH1A1 (0.42) TDP1L3MBTL1VCAM1TSHRMEN1
SCHEMBL29163865 0.81 TDP1 (0.51) TDP1L3MBTL1CASP6TSHRMEN1
SCHEMBL14278539 0.81 DPP4 (0.40) TDP1L3MBTL1VCAM1TSHRMEN1

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-111792631-B Device and method for treating nitric acid containing high-boiling-point organic matters 山东友道化学有限公司 2023-08-18 CN disclosed