SCHEMBL16975807

SCHEMBL16975807

CC(C)CCCOc1nc(O)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PIN1 Q13526 2/20 0.37
▸ MYC P01106 2/20 0.36
▸ MAX P61244 2/20 0.36
▸ XDH P47989 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL1201484 0.85 PIN1 (0.37) MAPTSMN1; SMN2ALDH1A1PIN1MYC
SCHEMBL1201093 0.82 NPC1 (0.36) MAPTSMN1; SMN2ALDH1A1PIN1XDH
SCHEMBL12878855 0.81 MAPT (0.36) MAPTPIN1XDHS1PR4PGK1
SCHEMBL1200509 0.80 MAPT (0.36) MAPTHTTKDM4EMEN1PKM
SCHEMBL1201317 0.80 S1PR4 (0.35) MAPTHTTKDM4EMEN1PKM
SCHEMBL12878869 0.78 MYC (0.42) MAPTHTTKDM4ESMN1; SMN2TDP1
SCHEMBL1201468 0.77 CYP3A4 (0.34) MAPTMEN1PKMKMT2ASMN1; SMN2
SCHEMBL28808625 0.74 MAPT (0.36) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL1201477 0.72 TXNRD1 (0.51) MAPTHTTHSP90AA1S1PR4
SCHEMBL1200480 0.72 XDH (0.34) HTTMEN1KMT2ASMN1; SMN2ALDH1A1

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
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 — — US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 — — US disclosed
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