SCHEMBL28906973

SCHEMBL28906973

Cc1cc(Oc2ccc(Cl)cc2F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR4 O95977 3/20 0.45
HSPB1 P04792 3/20 0.43
EPAS1 Q99814 2/20 0.43
PDE7A Q13946 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2443486 0.87 HSPB1 (0.58) HSPB1EPAS1MAPTTDP1GAA
SCHEMBL29549341 0.87 HSPB1 (0.58) HSPB1EPAS1MAPTTDP1GAA
SCHEMBL28511295 0.83 HSPB1 (0.56) SMN1; SMN2HSPB1MAPTTDP1GAA
SCHEMBL29845685 0.79 HSPB1 (0.53) SMN1; SMN2S1PR4HSPB1EPAS1PDE7A
SCHEMBL20154998 0.79 HSPB1 (0.53) SMN1; SMN2S1PR4HSPB1EPAS1PDE7A
SCHEMBL680217 0.79 HSPB1 (0.47) LMNASMN1; SMN2HSPB1MAPTTDP1
SCHEMBL30194332 0.79 SLC6A2 (0.44) POLBSMN1; SMN2EPAS1MAPTGAA
SCHEMBL28509222 0.79 SLC6A2 (0.44) POLBSMN1; SMN2EPAS1MAPTGAA
SCHEMBL10756271 0.77 S1PR4 (0.56) LMNAPOLBSMN1; SMN2S1PR4PDE7A
SCHEMBL28520772 0.76 HSPB1 (0.55) LMNAPOLBSMN1; SMN2HSPB1PDE7A

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-112300154-B Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2023-01-24 CN disclosed
CN-112300154-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 上海弘翊生物科技有限公司 2021-02-02 CN disclosed