SCHEMBL28087813

SCHEMBL28087813

O=[N+]([O-])c1ccc(Oc2ccccc2S(=O)(=O)O)cc1.[KH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 3/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ FAAH O00519 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ TBXA2R P21731 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MLNR O43193 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL28326327 0.98 HSPB1 (0.50) HSPB1MEN1KMT2AMAPTLMNA
SCHEMBL12190245 0.83 MMP1 (0.54) HSPB1MEN1KMT2AMAPTLMNA
SCHEMBL6725208 0.81 TBXA2R (0.55) MEN1KMT2AMAPTLMNAMAPK1
SCHEMBL7632959 0.81 HSPB1 (0.66) HSPB1MEN1KMT2AMAPTLMNA
SCHEMBL7829064 0.80 MAPT (0.57) HSPB1MEN1KMT2AMAPTLMNA
SCHEMBL9242715 0.79 CASP1 (0.49) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL158361 0.79 CASP1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL32661421 0.79 CASP1 (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL17916236 0.78 LTA4H (0.48) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL1120715 0.77 CASP1 (0.50) MEN1KMT2AMAPTLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105771676-A High-flux anti-pollution sulfonated polyamide composite nanofiltration membrane and preparation method thereof 南京理工大学 2016-07-20 — — CN disclosed
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