SCHEMBL28054584

SCHEMBL28054584

Cc1cccc2nc3ccccc3c(Cl)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAOB P27338 1/20 0.61
CYP1A2 P05177 1/20 0.44
GPR3 P46089 1/20 0.42
ELANE P08246 2/20 0.42
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 1/20 0.42
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.41
ACHE P22303 2/20 0.41
NQO2 P16083 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
HPGD P15428 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL10654059 0.81 MAOA (0.65) MAOAMAOBCYP1A2ELANEPARP1
SCHEMBL11052646 0.78 ALDH1A1 (0.61) MAOACYP1A2ALDH1A1BACE1POLB
SCHEMBL841604 0.78 POLB (0.46) MAOAMAOBCYP1A2GPR3ALDH1A1
SCHEMBL6791707 0.78 MAOA (0.61) MAOAMAOBCYP1A2GPR3ELANE
SCHEMBL902174 0.78 MAOA (0.61) MAOAMAOBCYP1A2ELANEALDH1A1
SCHEMBL455949 0.77 MAOA (1.00) MAOAMAOBGPR3ALDH1A1POLB
SCHEMBL17506412 0.76 ELANE (0.43) ELANEPARP1ACHEDHODH
Hydrochloric Acid SCHEMBL28400797 0.75 MAOA (0.95) MAOAMAOBGPR3ALDH1A1POLB
SCHEMBL9842688 0.75 DHODH (0.48) ELANEPARP1ALDH1A1POLBKDM4E
SCHEMBL4645969 0.74 CYP1A2 (0.46) MAOAMAOBCYP1A2ELANEALDH1A1

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-105503824-A Acridine derivative, preparation method thereof and application of acridine derivative as anti-angiogenesis drug UNIV GUANGXI CHINESE MEDICINE 2016-04-20 CN claimed
CN-105399726-A 2-methyl-9-acridine (p-methylphenyl)-1,2,3-triazole and preparation method and application thereof UNIV GUANGXI CHINESE MEDICINE 2016-03-16 CN claimed
CN-105476992-B Application of the 2- methoxyl group -9- acridine benzamido thiocarbamides in acetylcholinesterase inhibitor is prepared 广西中医药大学 2018-07-06 CN disclosed
CN-105503824-A Acridine derivative, preparation method thereof and application of acridine derivative as anti-angiogenesis drug UNIV GUANGXI CHINESE MEDICINE 2016-04-20 CN disclosed
CN-105399726-A 2-methyl-9-acridine (p-methylphenyl)-1,2,3-triazole and preparation method and application thereof UNIV GUANGXI CHINESE MEDICINE 2016-03-16 CN disclosed