SCHEMBL8046411

SCHEMBL8046411

O=C(O)Cn1c(=O)[nH]c(=O)c2ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.52
AKR1B1 P15121 3/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.50
AKR1A1 P14550 2/20 0.46
AKR1B10 O60218 1/20 0.46
KMO O15229 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MCL1 Q07820 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44

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
SCHEMBL8432918 0.84 CBX7 (0.47) MAT2AGRIN1GRIN2BHDAC1HDAC8
SCHEMBL7301671 0.84 MAT2A (0.48) MAT2AKMOMCL1HDAC6
SCHEMBL8890567 0.83 HDAC1 (0.47) AKR1B1AKR1A1GRIN2DGRIN3BGRIA1
SCHEMBL640508 0.82 CBX7 (0.58) AKR1B1PTGDR2KMOGRIN2DGRIN3B
SCHEMBL7660613 0.82 ALDH1A1 (0.49) MAT2ACBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL8488740 0.81 MAT2A (0.47) MAT2AAKR1B1AKR1A1AKR1B10HDAC1
SCHEMBL8377270 0.79 KDM4E (0.64) AKR1B1AKR1B10
SCHEMBL7309368 0.78 MAT2A (0.44) MAT2AHDAC1HDAC8HDAC6
SCHEMBL12822337 0.77 MAT2A (0.65) MAT2AHDAC1HDAC8HDAC6
SCHEMBL8893031 0.77 GRIN2D (0.48) AKR1B1PTGDR2AKR1A1AKR1B10KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001831-A Process for producing quinazoline derivatives CLARIANT GMBH (DE) 1999-12-14 US claimed
EP-0847392-B1 PROCESS FOR PRODUCING QUINAZOLINE DERIVATIVES CLARIANT GMBH (DE) 1999-12-08 EP claimed
EP-1010695-A1 PROCESS FOR PRODUCING QUINAZOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-21 EP disclosed
EP-0789020-B1 Process for producing dioxoquinazolines SUMITOMO CHEMICAL CO (JP) 2000-04-12 EP disclosed
US-6001831-A Process for producing quinazoline derivatives CLARIANT GMBH (DE) 1999-12-14 US disclosed
EP-0789020-A1 Process for producing dioxoquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-13 EP disclosed