SCHEMBL288436

SCHEMBL288436

CCC(=O)Oc1c(ON)cccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
BRD4 O60885 1/20 0.45
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
LIPE Q05469 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGER1 P34995 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
EDNRA P25101 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7636675 0.89 MRGPRX4 (0.57) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL7641375 0.88 NPC1 (0.53) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL5339466 0.86 PTPN1 (0.56) MAPTMAPK1TDP1L3MBTL1MRGPRX4
Hydrochloric Acid SCHEMBL29175079 0.85 MAPT (0.45) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL5345373 0.85 HTR1A (0.51) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL3804975 0.81 NPC1 (0.54) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL2326814 0.78 PTPN1 (0.47) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL7195121 0.76 KDM4E (0.52) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL6557586 0.75 KDM4E (0.52) TDP1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL11656656 0.75 MEN1 (0.47) MAPTL3MBTL1MRGPRX4HTR1AADRA1D

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-2427451-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BioLab Corporation (JP) 2012-03-14 EP disclosed
WO-2010128685-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2010-11-11 WO disclosed