SCHEMBL30656644

SCHEMBL30656644

O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.77
LMNA P02545 6/20 0.77
L3MBTL1 Q9Y468 4/20 0.77
TDP1 Q9NUW8 3/20 0.77
POLB P06746 1/20 0.77
SMN1; SMN2 Q16637 4/20 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
ADCY1 Q08828 5/20 0.69
ADCY8 P40145 2/20 0.69
HTT P42858 3/20 0.64
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 1/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL26665250 1.00 KDM4E (0.77) KDM4ELMNAL3MBTL1TDP1POLB
SCHEMBL26665246 0.90 KDM4E (0.78) KDM4ELMNAL3MBTL1TDP1POLB
SCHEMBL17717075 0.86 KDM4E (0.69) KDM4ELMNAL3MBTL1TDP1POLB
SCHEMBL28823005 0.86 KDM4E (0.83) KDM4ELMNAL3MBTL1TDP1SMN1; SMN2
SCHEMBL30656654 0.85 KDM4E (0.67) KDM4ELMNAL3MBTL1TDP1POLB
SCHEMBL26665231 0.85 KDM4E (0.67) KDM4ELMNAL3MBTL1TDP1POLB
SCHEMBL26665270 0.85 KDM4E (1.00) KDM4ELMNAL3MBTL1TDP1SMN1; SMN2
SCHEMBL30656648 0.85 KDM4E (0.74) KDM4ELMNAL3MBTL1TDP1POLB
SCHEMBL30656643 0.85 KDM4E (0.72) KDM4ELMNAL3MBTL1TDP1SMN1; SMN2
SCHEMBL30656650 0.85 ADCY1 (0.69) KDM4ELMNAL3MBTL1TDP1POLB

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