SCHEMBL323957

SCHEMBL323957

OCC(NCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
ATM Q13315 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR2 P34972 2/20 0.45
ACP3 P15309 3/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
CNR1 P21554 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL424037 0.88 SMN1; SMN2 (0.61) ADRB2SMN1; SMN2L3MBTL1ATMMEN1
SCHEMBL1848481 0.88 SMN1; SMN2 (0.61) ADRB2SMN1; SMN2L3MBTL1ATMMEN1
SCHEMBL4853220 0.88 SMN1; SMN2 (0.61) ADRB2SMN1; SMN2L3MBTL1ATMMEN1
SCHEMBL6472595 0.85 ADRB2 (0.50) ADRB2SMN1; SMN2L3MBTL1ATMACP3
SCHEMBL6514671 0.83 ATM (0.66) ADRB2SMN1; SMN2L3MBTL1ATMMEN1
Hydrochloric Acid SCHEMBL6473470 0.83 ADRB2 (0.52) ADRB2SMN1; SMN2L3MBTL1ATMACP3
SCHEMBL4885769 0.83 CNR2 (0.49) SMN1; SMN2L3MBTL1ATMMEN1KMT2A
SCHEMBL4885775 0.83 CNR2 (0.49) SMN1; SMN2L3MBTL1ATMMEN1KMT2A
SCHEMBL4890461 0.83 CNR2 (0.49) SMN1; SMN2L3MBTL1ATMMEN1KMT2A
SCHEMBL323594 0.78 BCHE (0.55) ATMMEN1KMT2ANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
EP-2197877-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR Sanofi-Aventis (FR) 2010-06-23 EP disclosed
EP-2193129-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-06-09 EP disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
WO-2009035159-A1 3-METHYL-2- ( (2S) -2- (4- (3-METHYL-L, 2, 4-0XADIAZ0L-5-YL) PHENYL) MORPHOLINO) -6- (PYRIMIDIN-4-YL) PYRIMIDIN-4 (3H) -ONE AS TAU PROTEIN KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed