SCHEMBL8897355

SCHEMBL8897355

CCOC(=O)CCOc1c[c]c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPOX P50336 1/20 0.36
KAT2B Q92831 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL6592649 0.86 PPOX (0.47) MEN1KMT2ALMNATDP1HPGD
SCHEMBL8807177 0.86 MAPT (0.50) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7745237 0.78 CYP4F2 (0.44) TNFMEN1KMT2ALMNAMAPT
SCHEMBL5844611 0.78 CSNK2A1 (0.45) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL5843254 0.78 MAPT (0.37) KMT2ALMNAMAPTSMN1; SMN2TSHR
SCHEMBL7740125 0.77 GAA (0.46) LMNAMAPTTDP1SMN1; SMN2HPGD
SCHEMBL7740071 0.76 USP2 (0.44) LMNAMAPTTDP1SMN1; SMN2HPGD
SCHEMBL28252189 0.75 MAPT (0.63) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL6592805 0.75 LMNA (0.60) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL6592765 0.75 PPOX (0.48) MEN1KMT2ALMNAMAPTTDP1

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
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed