SCHEMBL1856523

SCHEMBL1856523

COc1ccc2c3ccc(O)cc3n(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAOA P21397 3/20 0.51
DYRK1A Q13627 2/20 0.51
EGFR P00533 2/20 0.48
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 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
SCHEMBL19430990 0.89 ALDH1A1 (0.63) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL3886263 0.84 BCHE (0.52) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL15465809 0.80 L3MBTL1 (0.80) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL20096636 0.80 DYRK1A (0.56) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL13564055 0.79 DYRK1A (0.69) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL31087387 0.79 MGAM (0.51) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL2801597 0.79 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL18288081 0.78 L3MBTL1 (0.60) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL16099354 0.78 DYRK1A (0.51) MAPTALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL12355265 0.76 MAPT (0.63) MAPTALDH1A1L3MBTL1KDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 WO disclosed
EP-2323982-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION Georgetown University (US) 2011-05-25 EP disclosed
WO-2010019271-A1 FLUORESCENT REGULATORS OF RASSF1A EXPRESSION AND HUMAN CANCER CELL PROLIFERATION GEORGETOWN UNIVERSITY (US) 2010-02-18 WO disclosed