SCHEMBL5764703

SCHEMBL5764703

O=S(=O)(Oc1ccc2cccc(Br)c2n1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
KDM4E B2RXH2 2/20 0.32
AR P10275 1/20 0.32
HTT P42858 1/20 0.32
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
MTNR1A P48039 2/20 0.31

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
SCHEMBL22573236 0.82 PDE4A (0.46) PDE4APDE4CPDE4DLMNASMN1; SMN2
SCHEMBL17430077 0.82 PDE4A (0.41) PDE4APDE4CPDE4DARMTNR1A
SCHEMBL7210249 0.79 PDE4A (0.39) PDE4APDE4CPDE4DCA1CA2
SCHEMBL3836934 0.78 PDE4A (0.36) PDE4APDE4CPDE4DCA1CA2
SCHEMBL244946 0.75 MGAM (0.40) BACE1PDE4APDE4CPDE4DCA1
SCHEMBL29461538 0.75 MGAM (0.40) BACE1PDE4APDE4CPDE4DCA1
SCHEMBL15237684 0.75 MCHR1 (0.55) PDE4APDE4CPDE4DMCHR1
SCHEMBL7210224 0.75 PDE4A (0.39) PDE4APDE4CPDE4DMTNR1AMTNR1B
SCHEMBL17430074 0.75 MCHR1 (0.53) PDE4APDE4CPDE4DMCHR1
SCHEMBL18318080 0.74 PDE4A (0.45) PDE4APDE4CPDE4DCA1CA2

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
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed