SCHEMBL9428384

SCHEMBL9428384

COC(=O)c1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.69
RXRA P19793 4/20 0.62
RXRB P28702 4/20 0.62
RXRG P48443 2/20 0.62
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
PTGS1 P23219 1/20 0.56
NR4A1 P22736 2/20 0.52
NR4A3 Q92570 2/20 0.52
HPGD P15428 4/20 0.51
HTT P42858 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL7503287 0.88 PTGS2 (0.63) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL7504853 0.88 PTGS2 (0.63) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL7504069 0.87 NR4A2 (0.53) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL7510938 0.87 NR4A2 (0.53) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL2117681 0.84 NR4A2 (0.63) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL14289415 0.82 NR4A2 (0.75) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL5098755 0.82 NR4A2 (1.00) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL10029680 0.82 NR4A2 (0.80) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL8556511 0.81 NR4A2 (0.46) NR4A2RXRARXRBRXRGKDM4E
SCHEMBL8560591 0.81 NR4A2 (0.46) NR4A2RXRARXRBRXRGKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348969-A Oxazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US claimed
WO-2024009283-A1 AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-01-11 WO disclosed
US-5348969-A Oxazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-09-20 US disclosed