SCHEMBL25606151

SCHEMBL25606151

O=C(NCCCCNC(=O)Nc1ccc(C2=NCCN2)cc1)Nc1ccc(C2=NCCN2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.74
NISCH Q9Y2I1 4/20 0.63
ACHE P22303 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
BLM P54132 2/20 0.55
UBE2N P61088 3/20 0.51
PAX8 Q06710 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PRMT1 Q99873 1/20 0.50
SMPD3 Q9NY59 1/20 0.49
RUVBL1 Q9Y265 1/20 0.47
FDPS P14324 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL25602742 0.91 PPARG (0.62) PPARGNISCHACHETDP1BLM
SCHEMBL25602741 0.91 PPARG (0.62) PPARGNISCHACHETDP1BLM
SCHEMBL25606219 0.84 PPARG (0.70) PPARGNISCHACHETDP1BLM
SCHEMBL14599619 0.81 FDPS (0.53) PPARGNISCHTDP1BLMUBE2N
SCHEMBL14599622 0.81 FDPS (0.53) PPARGNISCHTDP1BLMUBE2N
SCHEMBL14599608 0.81 FDPS (0.53) PPARGNISCHTDP1BLMUBE2N
SCHEMBL15788315 0.80 PPARG (0.61) PPARGNISCHACHETDP1BLM
SCHEMBL25606326 0.80 PPARG (0.72) PPARGNISCHACHETDP1BLM
SCHEMBL17086964 0.79 ACHE (0.82) PPARGNISCHACHETDP1BLM
SCHEMBL25604318 0.79 NISCH (0.65) PPARGNISCHACHETDP1BLM

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-2023102209-A1 CLAUDIN INHIBITORS AND METHODS OF USE THEREOF THE UNIVERSITY OF CHICAGO (US) 2023-06-08 WO disclosed