SCHEMBL5331356

SCHEMBL5331356

O=c1oc2c(-c3cc(C(F)(F)F)ccc3Cl)cc(O)cc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
BIRC5 O15392 2/20 0.37
IL2 P60568 2/20 0.36
CA2 P00918 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
HPGD P15428 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTT P42858 1/20 0.35
KCNMA1 Q12791 1/20 0.34
AGPAT2 O15120 2/20 0.34
EIF4E P06730 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL6000098 0.83 MAPT (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6001574 0.76 MAPT (0.56) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6000158 0.76 MAPT (0.54) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6001366 0.72 MAPT (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL19785385 0.70 PDE2A (0.47) MEN1KMT2AALDH1A1BIRC5IL2
SCHEMBL6002064 0.70 MAPT (0.73) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL31196638 0.67 MAPT (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5307613 0.67 MAPT (0.68) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL6000106 0.67 MAPT (0.77) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL15503719 0.67 MAPT (1.00) MAPTMEN1KMT2AALDH1A1POLB

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