SCHEMBL8962070

SCHEMBL8962070

CCOCn1nc(C(F)(F)F)c([N+](=O)[O-])c1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33
CCR1 P32246 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
KCNMA1 Q12791 1/20 0.32

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
SCHEMBL9015100 0.72 NR1D1 (0.34) PTGS1PTGS2MAPTNR1H2NR1H3
SCHEMBL9015114 0.71 PSD (0.35) SMN1; SMN2MEN1KMT2AKCNMA1
SCHEMBL9015140 0.69 PSD (0.33) SMN1; SMN2
SCHEMBL31081858 0.69 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7782997 0.66 PDE7A (0.37) ALDH1A1MAPTSMN1; SMN2L3MBTL1LMNA
SCHEMBL9446607 0.64 GABRA2 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8324291 0.64 SMN1; SMN2 (0.38) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11130545 0.64 MAPT (0.33) PTGS2ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8325428 0.64 MAPT (0.36) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9220849 0.64 MAPK14 (0.33) PTGS1PTGS2MAPTNR1H2NR1H3

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
JP-8193067-A None JP disclosed
JP-H08193067-A PYRAZOLE COMPOUND, PRODUCTION, MICROBICIDAL, INSECTICIDAL AND ACARICIDAL AGENT FOR AGRICULTURAL AND HORTICULTURAL PURPOSE NIPPON SODA CO LTD 1996-07-30 JP disclosed