SCHEMBL4684239

SCHEMBL4684239

COc1c(OCc2ccccc2)ccnc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
LIPE Q05469 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LTA4H P09960 1/20 0.43
MAPK14 Q16539 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
RXRA P19793 1/20 0.42
RHEB Q15382 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL4898090 0.91 LTA4H (0.45) MGAMGAASIMGAM2ATP4A
SCHEMBL5583748 0.88 KDM4E (0.49) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4159575 0.88 ABCB1 (0.51) LTA4HHTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL10371618 0.87 KDM4E (0.51) MGAMGAASIMGAM2L3MBTL1
Hydrochloric Acid SCHEMBL10373109 0.85 MAPT (0.41) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL4687273 0.84 ALDH1A1 (0.53) MAPTTDP1L3MBTL1RXRAATM
SCHEMBL10917428 0.83 MAPT (0.57) ATP4AATP4BLIPEMAPTMAPK1
SCHEMBL4688192 0.81 L3MBTL1 (0.50) ATP4AATP4BLIPEMAPTMAPK1
SCHEMBL10678151 0.81 NPC1 (0.50) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL30963126 0.80 RAB9A (0.42) ATP4AATP4BMAPTMAPK1L3MBTL1

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-1973906-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE Virochem Pharma Inc. (CA) 2008-10-01 EP disclosed
WO-2006066414-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE VIROCHEM PHARMA INC. (CA) 2006-06-29 WO disclosed
EP-0390842-A1 NOVEL BENZIMIDAZOLE DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-10 EP disclosed
WO-1989005299-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1989-06-15 WO disclosed