SCHEMBL14362020

SCHEMBL14362020

C=C(C)n1nnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.61
▸ GAA P10253 10/20 0.54
▸ MGAM O43451 9/20 0.54
▸ AMY1A P0DUB6 9/20 0.54
▸ SI P14410 9/20 0.54
▸ MGAM2 Q2M2H8 9/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ F2 P00734 2/20 0.54
▸ SLC9A1 P19634 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ KCNMA1 Q12791 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL15426053 0.84 DGAT1 (0.66) DGAT1GAAMGAMAMY1ASI
SCHEMBL5490033 0.82 GAA (0.62) DGAT1GAAMGAMAMY1ASI
SCHEMBL18675329 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL15426052 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL29163194 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL535054 0.81 GAA (0.64) DGAT1GAAMGAMAMY1ASI
SCHEMBL18526054 0.81 DGAT1 (0.61) DGAT1GAAMGAMAMY1ASI
SCHEMBL15218673 0.81 DGAT1 (0.72) DGAT1GAAMGAMAMY1ASI
SCHEMBL16451454 0.80 DGAT1 (0.56) DGAT1GAAMGAMAMY1ASI
SCHEMBL19496157 0.79 DGAT1 (0.59) DGAT1GAAMGAMAMY1ASI

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-3450433-B1 PURINE DERIVATIVES AS TLR7 INHIBITORS FOR TREATING E.G. SYSTEMIC LUPUS ERYTHEMATOSUS SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2021-08-18 — — EP disclosed
EP-2751087-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL)TYROSINE Piramal Imaging SA (CH) 2014-07-09 — — EP disclosed
WO-2013001088-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2013-01-03 — — WO disclosed
US-7199129-B2 Derivatives of morphine-like opioid compounds MONASH UNIVERSITY (AU) 2007-04-03 — — US disclosed
Send feedback