SCHEMBL28039870

SCHEMBL28039870

COC(CN=Cc1ccnn1C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 1/20 0.32
CYP19A1 P11511 1/20 0.32
NAAA Q02083 1/20 0.32
CTSA P10619 1/20 0.31
DYRK3 O43781 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 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
SCHEMBL17499336 0.78 PDE4A (0.33) KMT2ACYP1A2CYP2C19MEN1TAAR1
SCHEMBL17499115 0.76 KDM4E (0.40) KMT2ACYP2D6MEN1TAAR1DYRK3
SCHEMBL16099271 0.76 MEN1 (0.38) METSMN1; SMN2KMT2AMEN1TAAR1
SCHEMBL28039852 0.75 MET (0.42) METKMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL16096005 0.75 MEN1 (0.43) METKMT2AMEN1TAAR1CYP19A1
SCHEMBL16097757 0.74 MAOA (0.44) SMN1; SMN2KMT2AMEN1TAAR1LMNA
SCHEMBL28040296 0.74 KMT2A (0.34) SMN1; SMN2KMT2AMEN1TAAR1DYRK3
SCHEMBL17499789 0.73 MEN1 (0.34) KMT2AMEN1TAAR1LMNADYRK3
SCHEMBL16103217 0.73 KDM4E (0.52) SMN1; SMN2KMT2APOLBCYP1A2CYP2C19
SCHEMBL16097842 0.72 ALDH1A1 (0.46) SMN1; SMN2KMT2APOLBMEN1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed