SCHEMBL29740691

SCHEMBL29740691

COc1ccccc1-c1nc2ccccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 9/20 0.78
▸ KDM4E B2RXH2 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TNKS O95271 3/20 0.62
▸ TNKS2 Q9H2K2 3/20 0.62
▸ PARP1 P09874 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ CASP3 P42574 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ SENP7 Q9BQF6 1/20 0.62
▸ SENP6 Q9GZR1 1/20 0.62
▸ CYP1A1 P04798 2/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ C1R P00736 1/20 0.58
▸ PARP2 Q9UGN5 1/20 0.57
▸ ABL1 P00519 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ LYN P07948 1/20 0.56
▸ SRC P12931 1/20 0.56

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
SCHEMBL1084872 1.00 GUSB (0.78) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL16007938 0.88 GUSB (1.00) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL13604403 0.85 GUSB (0.69) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL13599387 0.85 GUSB (0.70) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL23743251 0.85 GUSB (0.72) GUSBKDM4ETNKSTNKS2PARP1
SCHEMBL183953 0.85 GUSB (0.59) GUSBTNKSTNKS2PARP1NPC1
SCHEMBL183430 0.85 GUSB (0.59) GUSBTNKSTNKS2PARP1CYP1A1
SCHEMBL31238756 0.85 GUSB (1.00) GUSBKDM4EHPGD
SCHEMBL10205334 0.85 GUSB (0.68) GUSBKDM4EHPGDTNKSTNKS2
SCHEMBL7160589 0.85 GUSB (1.00) GUSBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109879820-B Synthetic method of quinazolinone heterocyclic compound 扬州大学 2022-07-19 — — CN disclosed
CN-110272392-B Transition metal catalyzed C-H coupling for efficiently preparing 2- (4(3H) -quinazolinone) aryl alkyl acetate derivative 四川大学 2022-07-01 — — CN disclosed
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