SCHEMBL30433641

SCHEMBL30433641

BrCCCCCCC1(CCCCCCBr)c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
S100A4 P26447 1/20 0.31
TDP2 O95551 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 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
SCHEMBL31125229 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL1818067 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL32680096 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL29386996 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL40737 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL25491614 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL3851000 1.00 PDK2 (0.36) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL2589743 0.93 PDK2 (0.38) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL30394000 0.93 PDK2 (0.38) PDK2AKR1A1AKR1B1S100A4TDP2
SCHEMBL15124484 0.92 PDK2 (0.32) PDK2TDP2

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
CN-112029094-B Ionic fluorenyl melamine hyperbranched conjugated polymer and preparation method and application thereof 哈尔滨工程大学 2023-05-05 CN claimed
CN-112029094-B Ionic fluorenyl melamine hyperbranched conjugated polymer and preparation method and application thereof 哈尔滨工程大学 2023-05-05 CN disclosed