SCHEMBL27950747

SCHEMBL27950747

Cc1nc2ccccc2nc1C(C)C=NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ CYP1A2 P05177 4/20 0.49
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ GPR3 P46089 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL27809942 0.74 CYP1A2 (0.48) KDM4EALDH1A1MAPTCYP1A2GAA
SCHEMBL31003174 0.74 CYP1A2 (0.48) KDM4EALDH1A1MAPTCYP1A2GAA
SCHEMBL11327423 0.74 MAPT (0.47) KDM4EALDH1A1MAPTCYP1A2GAA
Water SCHEMBL27809943 0.73 CYP1A2 (0.47) KDM4EALDH1A1MAPTCYP1A2GAA
SCHEMBL14993411 0.69 CYP1A2 (0.45) KDM4EALDH1A1MAPTCYP1A2NPC1
SCHEMBL5810725 0.67 ALDH1A1 (0.44) KDM4EALDH1A1MAPTCYP1A2NPC1
SCHEMBL3672070 0.67 ALDH1A1 (0.44) KDM4EALDH1A1MAPTCYP1A2NPC1
SCHEMBL2912522 0.66 TRPA1 (0.47) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL2912526 0.66 TRPA1 (0.47) KDM4EALDH1A1MAPTLMNAKMT2A
SCHEMBL103601 0.66 MAPT (0.62) KDM4EALDH1A1MAPTCYP1A2GAA

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
CN-103524435-A Hapten and complete antigen of mequindox residual marker (dedioxo mequindox) and preparation method thereof UNIV SOUTH CHINA AGRICULT 2014-01-22 — — CN claimed
CN-103524435-A Hapten and complete antigen of mequindox residual marker (dedioxo mequindox) and preparation method thereof UNIV SOUTH CHINA AGRICULT 2014-01-22 — — CN disclosed
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