SCHEMBL7263295

SCHEMBL7263295

C[C@H](O)[C@@H](CCOc1ccc2ccc(Br)cc2c1)NC(=O)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.39
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
SCN9A Q15858 2/20 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
SCHEMBL7263969 0.90 ADA (0.40) ADAMAPTRECQL
SCHEMBL7263912 0.89 ADA (0.39) ADAMAPTHTTPDE3BPDE3A
SCHEMBL7263100 0.86 SCN9A (0.44) ADASCN9A
SCHEMBL7259876 0.85 RAB9A (0.32) ADACYP3A4CYP2D6LMNAMEN1
SCHEMBL7259594 0.83 NPC1 (0.40) CYP3A4LMNAMEN1KMT2ARXFP1
SCHEMBL7258938 0.82 KDM4E (0.42) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7263288 0.82 RAB9A (0.47) ADACYP2D6MAPTHTTSMN1; SMN2
SCHEMBL7453006 0.78 NPC1 (0.40) ADAMEN1KMT2AMAPTRECQL
SCHEMBL7258813 0.78 POLB (0.38) LMNAMAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL7263079 0.78 TP53 (0.46) SMN1; SMN2L3MBTL1

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