SCHEMBL29950401

SCHEMBL29950401

O=C1OCCN1c1cc2ccccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.51
BRD4 O60885 1/20 0.44
DAO P14920 1/20 0.44
DDO Q99489 1/20 0.44
TNKS O95271 1/20 0.43
KDR P35968 2/20 0.42
CHEK1 O14757 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PARP1 P09874 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL20547348 0.77 BRD4 (0.46) IDH1BRD4DAODDOKDR
SCHEMBL4543934 0.74 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL9686105 0.74 BRD4 (0.50) BRD4DAODDOKDRCHEK1
SCHEMBL6582983 0.73 BRD4 (0.49) BRD4DAODDOKDRCHEK1
SCHEMBL24851987 0.72 IDH1 (0.52) IDH1PARP1
SCHEMBL31192189 0.72 IDH1 (0.52) IDH1PARP1
SCHEMBL27946461 0.72 ALDH1A1 (0.43) BRD4DAODDOKDRCHEK1
SCHEMBL3459225 0.72 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL31149055 0.72 HRH4 (0.51) BRD4DAODDOKDRCHEK1
SCHEMBL138181 0.72 KEAP1 (0.44) TNKS

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-113185505-B Quinolone oxazolidinone compound and preparation method and application thereof 中国农业大学 2022-09-27 CN claimed
CN-113185505-B Quinolone oxazolidinone compound and preparation method and application thereof 中国农业大学 2022-09-27 CN disclosed
CN-113185505-B Quinolone oxazolidinone compound and preparation method and application thereof 中国农业大学 2022-09-27 CN disclosed