SCHEMBL5259226

SCHEMBL5259226

Nc1cccc2c1C=Nc1ccccc1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
USP2 O75604 2/20 0.40
PPARG P37231 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A4 P08684 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
SCHEMBL1773151 0.79 MEN1 (0.40) KMT2AMEN1USP2PPARGKEAP1
SCHEMBL2552199 0.79 MEN1 (0.40) KMT2AMEN1USP2PPARGKEAP1
SCHEMBL1773148 0.79 MEN1 (0.40) KMT2AMEN1USP2PPARGKEAP1
Hydrochloric Acid SCHEMBL4845131 0.78 MEN1 (0.37) KMT2AMEN1USP2PPARGKEAP1
SCHEMBL309794 0.71 MAPT (0.50) KMT2AMEN1USP2PPARGKEAP1
SCHEMBL9232229 0.70 TRPA1 (0.55) KMT2AMEN1KEAP1HSD17B10SMN1; SMN2
SCHEMBL6029951 0.69 HTR1A (0.44) HSD17B10ALDH1A1KDM4ECYP3A4LMNA
SCHEMBL1132587 0.69 TRPA1 (0.40) KMT2AMEN1USP2PPARGKEAP1
SCHEMBL3688075 0.68 DRD2 (0.51) KMT2AMEN1USP2HSD17B10SMN1; SMN2
SCHEMBL89481 0.68 TRPA1 (0.55) SMN1; SMN2CASP1CASP7CYP3A4ALOX15

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
EP-1865962-A2 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS Arcadia Pharmaceuticals Inc. (US) 2007-12-19 EP disclosed
WO-2006107948-A9 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS ACADIA PHARM INC (US) 2007-02-22 WO disclosed
WO-2006107948-A2 USE OF N-DESMETHYLCLOZAPINE AND RELATED COMPOUNDS AS DOPAMINE STABILIZING AGENTS ACADIA PHARMACEUTICALS INC. (US) 2006-10-12 WO disclosed
EP-1589974-A2 USE OF N-DESMETHYLCLOZAPINE TO TREAT HUMAN NEUROPSYCHIATRIC DISEASE Acadia Pharmaceuticals Inc. (US) 2005-11-02 EP disclosed
WO-2004064753-A2 USE OF N-DESMETHYLCLOZAPINE TO TREAT HUMAN NEUROPSYCHIATRIC DISEASE ACADIA PHARMACEUTICALS INC (US) 2004-08-05 WO disclosed