SCHEMBL30656646

SCHEMBL30656646

O=C(Nc1nnc(-c2cccc(Br)c2)o1)c1cccc(I)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
LMNA P02545 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
HTT P42858 2/20 0.60
ADCY1 Q08828 6/20 0.55
ADCY8 P40145 3/20 0.55
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
LCLAT1 Q6UWP7 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
OPRK1 P41145 1/20 0.52
CCR6 P51684 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL26665215 1.00 KDM4E (0.60) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL30656658 0.89 LMNA (0.58) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL26665224 0.89 LMNA (0.58) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL26665266 0.88 ADCY1 (0.69) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL30656650 0.88 ADCY1 (0.69) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL26665231 0.86 KDM4E (0.67) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL30656654 0.86 KDM4E (0.67) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL30656643 0.85 KDM4E (0.72) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL26665252 0.85 KDM4E (0.72) KDM4ELMNAL3MBTL1HTTADCY1
SCHEMBL30656653 0.83 ADCY1 (0.76) KDM4ELMNAL3MBTL1HTTADCY1

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