SCHEMBL5312804

SCHEMBL5312804

COc1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 3/20 0.67
ALDH1A1 P00352 2/20 0.67
ALPL P05186 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TDP1 Q9NUW8 1/20 0.65
ERBB2 P04626 1/20 0.57
EP300 Q09472 2/20 0.56
APP P05067 1/20 0.55
SNCA P37840 1/20 0.55
AR P10275 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MIF P14174 1/20 0.53
STK17B O94768 1/20 0.53
POLB P06746 1/20 0.52
DYRK1A Q13627 1/20 0.51
MAOB P27338 1/20 0.50

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
SCHEMBL5312808 1.00 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1ALPL
SCHEMBL30019926 0.82 EP300 (0.65) KMT2AMEN1MAPTALDH1A1ALPL
SCHEMBL22624945 0.80 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1ALPL
SCHEMBL29767641 0.79 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1ALPL
SCHEMBL5673913 0.79 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1ALPL
SCHEMBL17471561 0.76 MAPT (0.56) KMT2AMAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL12866255 0.74 MAPT (0.55) KMT2AMEN1MAPTALDH1A1ALPL
SCHEMBL7851425 0.74 PDE4B (0.79) MAPTERBB2APPSNCA
SCHEMBL7843451 0.74 PDE4B (0.79) MAPTERBB2APPSNCA
SCHEMBL5476200 0.74 DHFR (0.73) KMT2AMEN1MAPTALDH1A1ALPL

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed