SCHEMBL7263299

SCHEMBL7263299

C[C@H](O)[C@H](CCOc1ccc2ccc(Br)cc2c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.48
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM1A O60341 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL7263915 0.88 ADA (0.48) ADAPPARGPPARDPPARAPDE3B
SCHEMBL7263103 0.86 ADA (0.46) ADAMAPTPPARGPPARDPPARA
SCHEMBL7259601 0.84 ADA (0.44) ADALMNAKMT2AMAPTHTT
SCHEMBL7259878 0.83 ADA (0.38) ADALMNAL3MBTL1KMT2AMAPT
SCHEMBL7258942 0.83 ADA (0.43) ADALMNAKMT2ASMN1; SMN2MEN1
SCHEMBL7263294 0.82 ADA (0.47) ADALMNAMAPTHTTSMN1; SMN2
SCHEMBL7263874 0.77 ADA (0.43) ADAMAPTCYP3A4
SCHEMBL7453012 0.76 ADA (0.48) ADAKMT2AMAPTMEN1PPARG
SCHEMBL5671092 0.76 ADA (0.82) ADA
SCHEMBL7258747 0.75 ADA (0.39) ADALMNAMAPTHTTSMN1; 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