SCHEMBL9618160

SCHEMBL9618160

N=C(c1ccc(C(=N)n2nnc3ccccc32)cc1)n1nnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.70
▸ MGAM O43451 10/20 0.57
▸ AMY1A P0DUB6 10/20 0.57
▸ GAA P10253 10/20 0.57
▸ SI P14410 10/20 0.57
▸ MGAM2 Q2M2H8 10/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ HPGD P15428 2/20 0.57
▸ F2 P00734 1/20 0.57
▸ SLC9A1 P19634 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ F12 P00748 6/20 0.55
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ KCNMA1 Q12791 1/20 0.49

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
SCHEMBL2732640 0.82 DGAT1 (1.00) DGAT1MGAMAMY1AGAASI
SCHEMBL15218673 0.79 DGAT1 (0.72) DGAT1MGAMAMY1AGAASI
SCHEMBL1520814 0.79 DGAT1 (0.72) DGAT1MGAMAMY1AGAASI
Hydrochloric Acid SCHEMBL2681010 0.78 DGAT1 (0.70) DGAT1MGAMAMY1AGAASI
SCHEMBL1756653 0.77 DGAT1 (0.69) DGAT1MGAMAMY1AGAASI
SCHEMBL12282952 0.75 DGAT1 (0.66) DGAT1MGAMAMY1AGAASI
SCHEMBL13453106 0.75 DGAT1 (0.77) DGAT1MGAMAMY1AGAASI
SCHEMBL21737729 0.75 DGAT1 (0.66) DGAT1MGAMAMY1AGAASI
SCHEMBL2970279 0.75 DGAT1 (0.66) DGAT1MGAMAMY1AGAASI
SCHEMBL4250719 0.75 GAA (0.68) DGAT1MGAMAMY1AGAASI

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
JP-4082879-A — — None — — JP disclosed
JP-H0482879-A PHENYLENEDIAMINE-BASED COMPOUND AND RUBBER COMPOSITION SANSHIN CHEM IND CO LTD 1992-03-16 — — JP disclosed
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