SCHEMBL30979352

SCHEMBL30979352

Cc1nc2c(C)cc(Br)cc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
PARP4 Q9UKK3 2/20 0.42
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
CYP1A2 P05177 1/20 0.38
IGF1R P08069 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NQO2 P16083 1/20 0.38
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
BRD4 O60885 1/20 0.36

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
SCHEMBL30511380 0.83 EGLN1 (0.43) EGLN1PARP4PARP1PARP2GRIN2D
SCHEMBL25309684 0.83 EGLN1 (0.43) EGLN1PARP4PARP1PARP2GRIN2D
SCHEMBL31424794 0.83 LMNA (0.42) EGLN1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14765195 0.81 ALDH1A1 (0.45) PARP2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30979307 0.79 GRIN2D (0.36) PARP4PARP1PARP2GRIN2DGRIN3B
SCHEMBL1144583 0.78 SMN1; SMN2 (0.50) EGLN1PARP4PARP1PARP2CYP1A2
SCHEMBL30888946 0.78 SMN1; SMN2 (0.50) EGLN1PARP4PARP1PARP2CYP1A2
SCHEMBL31424683 0.77 MAPT (0.40) PARP4PARP1PARP2IGF1REGFR
SCHEMBL31424573 0.77 PDE5A (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31424773 0.76 HTT (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076597-A Azaquinolinone derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2024-05-24 CN disclosed