SCHEMBL7845677

SCHEMBL7845677

COc1cc(CNC(=O)c2c(Cl)cccc2[Si](C)(C)C)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PDE2A O00408 1/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
LDHA P00338 1/20 0.46
PTGS2 P35354 1/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 2/20 0.45
APEX1 P27695 2/20 0.45
GAA P10253 1/20 0.44
ALDH2 P05091 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
SCHEMBL7853972 0.83 MMP13 (0.58) ALDH1A1MAPTCYP3A4CYP2D6LMNA
SCHEMBL7853247 0.82 L3MBTL1 (0.53) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL7854551 0.80 MAPT (0.56) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL7855101 0.78 MAPK7 (0.59) ALDH1A1CYP3A4GAAALDH2
SCHEMBL10107718 0.77 LMNA (0.63) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL7845221 0.76 PTPN1 (0.49) MEN1KMT2AALDH1A1MAPTCYP2D6
SCHEMBL7853870 0.75 HPGD (0.51) ALDH1A1PKMCYP2C19HPGD
SCHEMBL30474381 0.75 APEX1 (0.55) ABCB1MEN1KMT2AALDH1A1MAPT
SCHEMBL29200010 0.75 APEX1 (0.55) ABCB1MEN1KMT2AALDH1A1MAPT
SCHEMBL7855604 0.75 MAPK14 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C19HPGD

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
EP-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed