SCHEMBL30656648

SCHEMBL30656648

O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.74
LMNA P02545 5/20 0.74
TDP1 Q9NUW8 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
OPRK1 P41145 2/20 0.74
CCR6 P51684 2/20 0.74
ALOX15 P16050 1/20 0.74
ALOX12 P18054 1/20 0.74
CXCR5 P32302 1/20 0.74
APLNR P35414 1/20 0.74
HTT P42858 3/20 0.65
ADCY1 Q08828 8/20 0.64
ADCY8 P40145 2/20 0.64
L3MBTL1 Q9Y468 5/20 0.61
HPGD P15428 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TP53 P04637 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL26665265 1.00 KDM4E (0.74) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL774750 0.88 KDM4E (0.68) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL26665270 0.85 KDM4E (1.00) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL30656644 0.85 KDM4E (0.77) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL26665250 0.85 KDM4E (0.77) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL26665246 0.84 KDM4E (0.78) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL28823005 0.83 KDM4E (0.83) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL22594333 0.80 KDM4E (0.78) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL26665245 0.80 KDM4E (0.76) KDM4ELMNATDP1SMN1; SMN2OPRK1
SCHEMBL30656643 0.80 KDM4E (0.72) KDM4ELMNATDP1SMN1; SMN2OPRK1

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-2023224371-A1 NOVEL OXADIAZOLE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROINFLAMMATORY DISEASES COMPRISING SAME (주)셀로스바이오텍 2023-11-23 WO claimed
WO-2023224371-A1 NOVEL OXADIAZOLE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROINFLAMMATORY DISEASES COMPRISING SAME (주)셀로스바이오텍 2023-11-23 WO disclosed