SCHEMBL16503543

SCHEMBL16503543

C=C(OC)c1ccc2cccc(-c3c(Cl)cccc3OC)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 1/20 0.39
WEE1 P30291 2/20 0.36
CHEK1 O14757 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PLAU P00749 1/20 0.36
AR P10275 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35

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
SCHEMBL7906715 0.89 MAPT (0.41) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7920135 0.85 MAPT (0.46) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL16502484 0.84 RAB9A (0.44) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7906753 0.79 MAPT (0.36) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7916826 0.78 HTR5A (0.51)
SCHEMBL7915719 0.78 RAB9A (0.40) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7916811 0.77 CCNT1 (0.40) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7908906 0.76 PLAU (0.34) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7916763 0.76 RAB9A (0.35) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7916827 0.76 PLAU (0.33) MAPTMEN1KMT2APLAU

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-2394987-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-14 EP disclosed