SCHEMBL13531237

SCHEMBL13531237

CN(C)CCOC(=O)c1cncnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.57
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 3/20 0.47
CYP1A2 P05177 1/20 0.47
MAOA P21397 1/20 0.47
CNR1 P21554 1/20 0.47
DRD4 P21917 1/20 0.47
ACHE P22303 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
NTSR1 P30989 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
SCN7A Q01118 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL9717097 0.81 L3MBTL1 (0.67) PHLPP2ALDH1A1MAPTLMNAMAPK1
SCHEMBL13531222 0.80 LMNA (0.56) ALDH1A1MAPTLMNACYP1A2MAPK1
SCHEMBL8963488 0.80 PHLPP2 (0.83) PHLPP2ALDH1A1MAPTLMNACYP1A2
SCHEMBL27666908 0.79 PHLPP2 (0.66) PHLPP2ALDH1A1MAPTLMNACYP1A2
SCHEMBL13531269 0.79 TSHR (0.50) ALDH1A1LMNASCN5AKDRCHRM1
Hydrochloric Acid SCHEMBL27693811 0.78 PHLPP2 (0.64) PHLPP2ALDH1A1MAPTLMNACYP1A2
SCHEMBL27810926 0.77 L3MBTL1 (0.67) ALDH1A1MAPTLMNACYP1A2MAPK1
SCHEMBL19101153 0.77 PHLPP2 (0.54) PHLPP2ALDH1A1MAPTLMNACYP1A2
SCHEMBL13531219 0.77 HCAR2 (0.43) ALDH1A1LMNAGAAKDM4EKDR
SCHEMBL27876047 0.76 BCHE (0.54) MAPTLMNAACHEMAPK1GAA

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
US-20100015382-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-01-21 US disclosed
US-20100015382-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2010-01-21 US disclosed