SCHEMBL2010819

SCHEMBL2010819

O=CC(c1ccc(Cl)cc1)c1cc(Br)ccn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.38
S1PR3 Q99500 9/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 3/20 0.33
FFAR2 O15552 4/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR4 O95977 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 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
SCHEMBL14835471 0.86 CYP19A1 (0.35) S1PR3CYP19A1FFAR2LMNAMEN1
SCHEMBL2010769 0.85 S1PR1 (0.36) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL2011686 0.81 S1PR1 (0.36) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4706372 0.75 KMT2A (0.37) S1PR3ALDH1A1CYP19A1LMNAKMT2A
SCHEMBL3630701 0.72 FLT1 (0.35) SMN1; SMN2LMNAKMT2ANPSR1
SCHEMBL7825242 0.72 CYP19A1 (0.42) CYP19A1FFAR2LMNAMEN1KMT2A
SCHEMBL1978297 0.72 HSD17B10 (0.46) CYP19A1FFAR2LMNABLM
SCHEMBL20746229 0.72 ALDH1A1 (0.40) S1PR1S1PR3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6443718 0.70 GAA (0.39) KDM4EFFAR2LMNAMEN1KMT2A
SCHEMBL5184111 0.70 CYP19A1 (0.61) ALDH1A1CYP19A1FFAR2MEN1KMT2A

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