SCHEMBL8458244

SCHEMBL8458244

O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])c(Cl)c1OCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
PPARG P37231 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51
RORC P51449 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL27774881 0.87 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28158256 0.84 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1648370 0.81 GPR27 (0.53) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28036125 0.81 TDP1 (0.44) MEN1KMT2AMAPTCYP3A4TSHR
SCHEMBL4045541 0.80 MEN1 (0.65) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL995085 0.77 GAA (0.77) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5698205 0.76 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6550093 0.76 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL27782904 0.76 KDM1A (0.64) MEN1KMT2AMAPTSMN1; SMN2LMNA
Methyl Alcohol SCHEMBL4957272 0.75 GAA (0.73) MEN1KMT2AMAPTSMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116322669-A OHPP formulated niclosamide for the treatment of SARS-COV-2, other viral diseases and cancer 普渡研究基金会 2023-06-23 CN disclosed
CN-103891718-B Niclosamide the composition of niclosamide ethanolamine salt effervescent tablet and methods and applications NANTONG HONG YANG CHEMICAL CO., LTD. (CN) 2015-11-25 CN disclosed
CN-103891718-A Composition of niclosamide/niclosamide ethanol amine salt effervescent tablet as well as method and application thereof NANTONG HONGYANG CHEMICAL INDUSTRY CO LTD 2014-07-02 CN disclosed
WO-1999039575-A9 SYNERGISTIC BIOCIDAL ACTIVITY OF TERNARY COMPLEXES OF NEGATIVELY -CHARGED BIOCIDES (COMPONENT A), TRANSITION METAL IONS (COMPONENT B), AND NEUTRAL CHELATORS (COMPONENT C) YISSUM RES DEV CO (IL) 1999-10-21 WO disclosed
WO-1999039575-A2 SYNERGISTIC BIOCIDAL ACTIVITY OF TERNARY COMPLEXES OF NEGATIVELY -CHARGED BIOCIDES (COMPONENT A), TRANSITION METAL IONS (COMPONENT B), AND NEUTRAL CHELATORS (COMPONENT C) YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1999-08-12 WO disclosed