SCHEMBL7264346

SCHEMBL7264346

C[C@H](O)[C@H](CCOc1cccc(-c2csc(Cc3ccccc3)n2)c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ECE1 P42892 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ADA P00813 1/20 0.37
ENPP2 Q13822 1/20 0.37
HTT P42858 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR3A P46098 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PLAU P00749 1/20 0.34
LMNA P02545 3/20 0.34

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
SCHEMBL7263113 0.89 ATP4A (0.35) ATP4AATP4BMEN1KMT2ANPSR1
SCHEMBL7258881 0.82 ADA (0.39) CDK5ADAHDAC1
SCHEMBL5673918 0.81 ADA (0.61) ECE1CDK5CDK5R1ADA
SCHEMBL7259386 0.80 MAPT (0.39) ATP4AATP4BMEN1KMT2AHTT
SCHEMBL7258747 0.79 ADA (0.39) ADAHTTALDH1A1LMNAMAPT
SCHEMBL7263018 0.79 ADA (0.41) ADAHTTPPARAALDH1A1LMNA
SCHEMBL7264339 0.78 HDAC8 (0.38) ATP4AATP4BMEN1KMT2ANPSR1
SCHEMBL7263976 0.78 LTB4R (0.39) ADAKDM4E
SCHEMBL7258788 0.77 CHEK2 (0.39) ADAMAPTRAB9ASMN1; SMN2
SCHEMBL7259458 0.76 ADA (0.40) MEN1KMT2AADAHTTHDAC1

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
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO disclosed