SCHEMBL8893031

SCHEMBL8893031

O=C(O)Cn1c(=O)[nH]c(=O)c2c(Cl)cc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.48
GRIN3B O60391 3/20 0.48
GRIN1 Q05586 3/20 0.48
GRIN2A Q12879 3/20 0.48
GRIN2B Q13224 3/20 0.48
GRIN2C Q14957 3/20 0.48
GRIN3A Q8TCU5 3/20 0.48
GRIA1 P42261 2/20 0.48
GRIA2 P42262 2/20 0.48
GRIA3 P42263 2/20 0.48
GRIA4 P48058 2/20 0.48
AKR1B10 O60218 1/20 0.46
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
GPR17 Q13304 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FBP1 P09467 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL8892597 0.84 KDM4E (0.43) GRIN1GRIN2BHDAC1HDAC8HDAC6
SCHEMBL10487991 0.82 ALDH1A1 (0.46) GRIN1GRIN2BMEN1CYP2D6CYP2C9
SCHEMBL8046411 0.77 MAT2A (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL640508 0.74 CBX7 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8908137 0.73 GPR17 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8907357 0.72 CA12 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8890311 0.72 ITGB1 (0.37) GRIN1GRIN2BHDAC1HDAC8HDAC6
SCHEMBL8893601 0.71 APEX1 (0.45) GRIN1GRIN2BGPR17HDAC1HDAC8
SCHEMBL8890895 0.70 HDAC6 (0.58) GRIN1GRIN2BAKR1B1GPR17HDAC1
SCHEMBL8377270 0.70 KDM4E (0.64) AKR1B10AKR1B1APEX1

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
WO-1997002254-A1 QUINAZOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-23 WO disclosed