SCHEMBL2397579

SCHEMBL2397579

Cc1ccccc1NCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
KDM4E B2RXH2 4/20 0.58
MAPT P10636 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
ADRA2C P18825 3/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 4/20 0.52
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ADRA2B P18089 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
ATAD2 Q6PL18 1/20 0.50

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
SCHEMBL29846220 0.87 MAOA (0.68) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL29736848 0.83 CYP1A2 (0.60) GAAMAPTCYP1A2CYP2C19NPC1
SCHEMBL17620760 0.82 MAOA (0.58) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL11647842 0.81 MAOA (0.61) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15452644 0.81 MAPT (0.61) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL13780480 0.81 MAPT (0.61) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL16491982 0.81 MAPT (0.68) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL4028848 0.81 MAPT (0.61) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL28762118 0.81 GAA (0.49) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL17735529 0.80 MAPT (0.55) GAAMAPTCYP1A2CYP2C19ADRA2C

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-8536243-B2 Two-component system for bone cement TEKNIMED SAS (FR) 2013-09-17 US disclosed
US-20110237705-A1 TWO-COMPONENT SYSTEM FOR BONE CEMENT TEKNIMED SAS (FR) 2011-09-29 US disclosed