SCHEMBL7263113

SCHEMBL7263113

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ECE1 P42892 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ENPP2 Q13822 1/20 0.34
HTT P42858 2/20 0.33
SCN9A Q15858 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HTR3A P46098 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PLAU P00749 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL7259386 0.92 MAPT (0.39) ATP4AATP4BMEN1KMT2AHTT
SCHEMBL7264346 0.89 ATP4A (0.38) ATP4AATP4BMEN1KMT2ANPSR1
SCHEMBL7259393 0.85 PSMB5 (0.33) MEN1KMT2ACDK5HDAC1SMN1; SMN2
SCHEMBL5669578 0.83 ADA (0.48) ATP4AATP4BECE1CDK5CDK5R1
SCHEMBL7262972 0.83 HSD17B1 (0.33) PPARA
SCHEMBL7258931 0.81 HSD17B1 (0.32) NPSR1
SCHEMBL7264023 0.81 FFAR1 (0.35) HTTPPARDALDH1A1KDM4ELMNA
SCHEMBL7259445 0.80 MAPT (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7264650 0.80 DHODH (0.34) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL7264341 0.80 CHEK2 (0.35) SCN9AMAPTSMN1; SMN2

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 1 patent. 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