SCHEMBL3946624

SCHEMBL3946624

Cc1ccc(Oc2ccccc2-c2cs[c]n2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
HTR3A P46098 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.34
SCN9A Q15858 3/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17626132 0.77 MAPT (0.43) HPGDGAAMAPTTDP1KDM4E
SCHEMBL2750716 0.76 GAA (0.37) HTR1AHTR3AL3MBTL1HPGDTSHR
SCHEMBL1435851 0.75 CYP19A1 (0.47) HPGDGAAMAPTKDM4ESMN1; SMN2
SCHEMBL7227702 0.73 IDO1 (0.42) HPGDTSHRMAPK1GAAMAPT
SCHEMBL17626197 0.73 PTPRC (0.43) HPGDMAPTTDP1KDM4E
SCHEMBL8737305 0.71 HTR1A (0.55) HTR1AHTR3AL3MBTL1HPGDTSHR
SCHEMBL31666386 0.69 HTR1A (0.50) HTR1AHTR3AL3MBTL1GAAMAPT
SCHEMBL4950654 0.69 HTR1A (0.50) HTR1AHTR3AL3MBTL1GAAMAPT
SCHEMBL3605029 0.69 ATP4A (0.45) MAPK1MAPTTDP1KDM4EKMT2A
SCHEMBL6175479 0.68 HDAC1 (0.35) MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO disclosed