SCHEMBL3210108

SCHEMBL3210108

Fc1[c]ccc(F)c1-c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
KDM4E B2RXH2 6/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ERN1 O75460 1/20 0.33
TYMP P19971 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 3/20 0.32
POLB P06746 2/20 0.32
ALOX15 P16050 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL5227411 0.76 MAPT (0.46) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL8163370 0.73 MAPT (0.36) KDM4EMAPTMEN1KMT2AHPGD
SCHEMBL6661757 0.72 LTA4H (0.39) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL10848415 0.72 MAPT (0.35) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL6744117 0.71 MAPT (0.44) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL7135870 0.70 MAPT (0.52) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL616338 0.69 DHODH (0.43) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL8013535 0.68 LMNA (0.36) MAPTALDH1A1TYMPCYP2C9CYP1A2
SCHEMBL8152470 0.68 MAPT (0.41) ACHEKDM4EMAPTMEN1KMT2A
SCHEMBL435178 0.67 NOTUM (0.33) KDM4EMAPTMEN1KMT2AALDH1A1

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
US-7683082-B2 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon PTC THERAPEUTICS, INC. (US) 2010-03-23 US disclosed