SCHEMBL28501879

SCHEMBL28501879

CCOC(=O)c1nnc(-c2ccc(Br)cc2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
TARBP2 Q15633 4/20 0.61
POLB P06746 3/20 0.57
MAPT P10636 6/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 7/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PPARG P37231 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL326764 0.88 CA1 (0.71) CA1CA2TARBP2POLBMAPT
SCHEMBL167291 0.86 CA1 (0.68) CA1CA2TARBP2POLBMAPT
SCHEMBL31049616 0.86 CA1 (0.68) CA1CA2TARBP2POLBMAPT
SCHEMBL165878 0.86 POLB (0.76) CA1CA2TARBP2POLBMAPT
SCHEMBL7865590 0.86 CA1 (0.72) CA1CA2TARBP2POLBMAPT
SCHEMBL163935 0.86 CA1 (0.68) CA1CA2TARBP2POLBMAPT
SCHEMBL114885 0.85 CA1 (0.67) CA1CA2TARBP2POLBMAPT
SCHEMBL11485622 0.84 CA1 (0.67) CA1CA2TARBP2POLBMAPT
SCHEMBL30949366 0.84 POLB (0.74) CA1CA2TARBP2POLBMAPT
SCHEMBL326844 0.83 CA1 (0.65) CA1CA2TARBP2POLBMAPT

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
CN-112110911-B 1,3, 4-Oxadiazole oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2024-04-26 CN disclosed
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 CN disclosed
CN-112110911-A 1,3, 4-oxadiazole oxime derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-12-22 CN disclosed