SCHEMBL3811084

SCHEMBL3811084

O=S(=O)(Oc1ccc2ccccc2c1-c1cccc2ccccc12)C(F)(F)F

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
DNMT1 P26358 1/20 0.41
SLC22A12 Q96S37 1/20 0.39
DRD2 P14416 3/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
PSD A5PKW4 1/20 0.35
WDR5 P61964 1/20 0.35
CES1 P23141 2/20 0.35
PTPN1 P18031 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
SCHEMBL7795700 0.91 DRD2 (0.44) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL635407 0.90 MAPT (0.49) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL29560409 0.90 MAPT (0.49) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL31338576 0.88 ALDH1A1 (0.39) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7795719 0.86 CA12 (0.40) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL23581680 0.85 MAPT (0.41) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL7788925 0.85 MAPT (0.40) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL25421451 0.84 PRKDC (0.36) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL30719046 0.84 KMT2A (0.54) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL6931868 0.84 GPR84 (0.38) MAPTMEN1ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1452537-B1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS TAKEDA PHARMACEUTICAL (JP) 2009-08-05 EP disclosed
US-5886182-A REDUCING PYRIDYLPHOSPHINEOXIDE COMPOUND WITH SILANE COMPOUND IN AROMATIC SOLVENT IN PRESENCE OF AN ORGANIC BASE THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1999-03-23 US disclosed
EP-0839819-A1 Method of preparing optically active diphosphine ligands Takasago International Corporation (JP) 1998-05-06 EP disclosed
EP-0684230-A1 4- (R)-1'-formylethyl azetidin-2-one derivatives Takasago International Corporation (JP) 1995-11-29 EP disclosed