SCHEMBL6013870

SCHEMBL6013870

O=C1c2ccccc2C(=O)N1CCOP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
GLA P06280 1/20 0.52
BRCA1 P38398 1/20 0.52
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.49
GLS O94925 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6274253 0.90 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ATSHRMAPTMAPK1
SCHEMBL10898616 0.83 HPGD (0.51) SMN1; SMN2HPGDNPSR1RAB9ANPC1
SCHEMBL8163196 0.82 CA12 (0.47) HPGDTSHRMAPTMAPK1ALDH1A1
SCHEMBL11406567 0.80 HPGD (0.49) SMN1; SMN2HPGDNPSR1RAB9ANPC1
SCHEMBL11296757 0.80 SMN1; SMN2 (0.51) SMN1; SMN2GLABRCA1HPGDNPSR1
SCHEMBL3642366 0.78 RAB9A (0.65) SMN1; SMN2GLABRCA1HPGDNPSR1
SCHEMBL29530672 0.78 RAB9A (0.65) SMN1; SMN2GLABRCA1HPGDNPSR1
SCHEMBL25991266 0.77 HPGD (0.61) SMN1; SMN2GLABRCA1HPGDNPSR1
SCHEMBL2743018 0.77 HPGD (0.61) SMN1; SMN2GLABRCA1HPGDNPSR1
SCHEMBL9242647 0.77 TSHR (0.56) SMN1; SMN2RAB9ANPC1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718150-A1 METHYLATION INHIBITOR COMPOUNDS The Government of the United States of America, represented by the Secretary, Department of Health and Human Services (US) 2006-11-08 EP disclosed
WO-2005082144-A1 METHYLATION INHIBITOR COMPOUNDS GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER (US) 2005-09-09 WO disclosed
WO-2005080406-A2 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-09-01 WO disclosed
US-3985875-A RENIN INHIBITION, ANTIHYPERTENSIVE, ANTICHOLESTEROL AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-10-12 US disclosed