SCHEMBL8203046

SCHEMBL8203046

Clc1cc2c(cc1Cl)Nc1ccccc1C=N2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TRPA1 O75762 3/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
GRM2 Q14416 1/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
NOX1 Q9Y5S8 1/20 0.31

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
SCHEMBL3521082 0.81 DRD2 (0.43) GAAMAPTTRPA1MEN1KMT2A
SCHEMBL8204505 0.81 TP53 (0.33) MAPTBCHEACHENOX1
SCHEMBL8204921 0.79 MAPT (0.41) GAAMAPTTRPA1MEN1KMT2A
SCHEMBL309794 0.77 MAPT (0.50) GAAMAPTTRPA1MEN1USP2
SCHEMBL14128978 0.75 TRPA1 (0.44) GAAMAPTTRPA1MEN1USP2
SCHEMBL7456203 0.75 TRPA1 (0.43) GAAMAPTTRPA1MEN1USP2
SCHEMBL20067129 0.75 SMN1; SMN2 (0.43) GAAMAPTTRPA1MEN1USP2
SCHEMBL20067133 0.72 CYBB (0.45) GAAMAPTUSP2GRM2NOX1
SCHEMBL11499806 0.71 GAA (0.43) GAAMAPTTRPA1MEN1USP2
SCHEMBL8203995 0.71 BCHE (0.44) MAPTTRPA1MEN1USP2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019479-A1 MUSCARINIC RECEPTOR LIGANDS ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-27 WO claimed
US-6103715-A COMPOUNDS THAT BIND TO THE DOPAMINE D4 RECEPTOR AND THEIR USE AS ANXIOLYTIC AGENTS, TREATMENT FOR SCHIZOPHRENIA, AND DRUG SCREENING; SIDE EFFECT REDUCTIOON ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-15 US disclosed
US-5538965-A TREATMENT OF PSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA AND ANXIETY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-07-23 US disclosed