SCHEMBL2008368

SCHEMBL2008368

ON=CC(c1ccc(F)cc1)c1cc(Br)ccn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2011686 0.86 S1PR1 (0.36) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL9953802 0.83 SLC10A1 (0.34) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL2010769 0.81 S1PR1 (0.36) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL27989063 0.77 KDM4E (0.32) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8919343 0.72 USP2 (0.39) KDM4EALDH1A1CYP19A1
SCHEMBL30637612 0.70 HDAC3 (0.41) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL27989064 0.68 PTPN1 (0.32)
SCHEMBL6718695 0.67 CES2 (0.41)
SCHEMBL2010819 0.67 S1PR1 (0.38) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL3006394 0.66 KDM4E (0.42) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507238-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI (FR) 2012-10-10 EP disclosed
EP-2477988-A1 ACETYLENE DERIVATIVES OF 5-PHENYL-PYRAZOLOPYRIDINE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
EP-2477990-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
WO-2011067544-A1 DIPHENYL-PYRAZOLOPYRDINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF AS NUCLEAR RECEPTOR NOT MODULATORS SANOFI-AVENTIS (FR) 2011-06-09 WO disclosed
WO-2011033230-A1 5-PHENYL PYRAZOLOPYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed