SCHEMBL28110413

SCHEMBL28110413

COc1ccccc1-c1ncc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
ALDH1A1 P00352 9/20 0.54
CYP1A2 P05177 14/20 0.52
CYP3A4 P08684 12/20 0.52
CYP2D6 P10635 11/20 0.52
TSHR P16473 7/20 0.52
HSD17B10 Q99714 7/20 0.52
CYP2C19 P33261 7/20 0.52
LMNA P02545 6/20 0.52
USP2 O75604 6/20 0.52
ALOX15 P16050 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 2/20 0.50
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL8775247 0.85 ALDH1A1 (0.46) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL8776077 0.84 MAOA (0.44) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL17653985 0.83 MEN1 (0.48) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL30900832 0.83 MEN1 (0.48) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL7167304 0.81 TLR8 (0.51) MAOAMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL8776831 0.81 ALDH1A1 (0.49) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL8775356 0.79 SMN1; SMN2 (0.47) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL8776753 0.79 MAOA (0.43) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL8775539 0.79 L3MBTL1 (0.47) MAOAMAOBALDH1A1CYP1A2CYP3A4
SCHEMBL27746869 0.78 NPC1 (0.61) ALDH1A1CYP1A2SMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118125985-A Method for preparing quinazolinone by activating alkylbenzene benzyl site C (sp 3) -H bond by photo-generated chlorine free radical 桂林理工大学 2024-06-04 CN disclosed
CN-112941549-A Synthetic method of quinazoline derivative, benzoxazine derivative and benzothiazole derivative 石河子大学 2021-06-11 CN disclosed
CN-109879820-A A kind of synthetic method of quinazolinone heterocyclic compound 扬州大学 2019-06-14 CN disclosed
CN-106008370-B A kind of synthetic method of 2- substituted quinazoline heterocyclic compounds 温州大学 2018-12-18 CN disclosed
CN-106008370-A Synthesis method for 2-substituted quinazoline heterocyclic compound 温州大学 2016-10-12 CN disclosed