SCHEMBL4068798

SCHEMBL4068798

CCCCCCCCCCCCCCCCCCCCn1ccnc1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.85
KMT2A Q03164 2/20 0.85
POLB P06746 1/20 0.85
TLR8 Q9NR97 2/20 0.62
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.47
P2RX7 Q99572 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TBXAS1 P24557 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4070067 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL5287541 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL363481 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267924 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL1137200 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25270261 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25240227 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL25267373 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL2328687 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12
SCHEMBL634872 1.00 ALDH1A1 (0.85) ALDH1A1KMT2APOLBTLR8CA12

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
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
WO-2009024312-A2 METHOD FOR THE PRODUCTION AND STABILIZATION OF FUNCTIONAL METAL NANOPARTICLES IN IONIC LIQUIDS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-02-26 WO disclosed