SCHEMBL30673176

SCHEMBL30673176

CCCCOc1ccc(C2(c3ccc(OCCCC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 13/20 0.49
LTA4H P09960 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN11 Q06124 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL21944336 0.91 MAPT (0.42) PDK2LTA4HMEN1KMT2ALMNA
SCHEMBL4552932 0.90 PDK2 (0.47) PDK2LTA4HMAPTPTPN11TP53
SCHEMBL988298 0.90 PDK2 (0.45) PDK2LTA4HLMNAMAPTPTPN11
SCHEMBL4579086 0.90 PDK2 (0.45) PDK2LTA4HLMNAMAPTPTPN11
SCHEMBL30673067 0.85 PDK2 (0.53) PDK2MEN1KMT2A
SCHEMBL28931121 0.85 PDK2 (0.53) PDK2MEN1KMT2A
SCHEMBL12628268 0.85 DRD2 (0.43) PDK2LTA4HMAPTPTPN11TP53
SCHEMBL12107999 0.84 NR5A1 (0.57) PDK2LTA4HMEN1KMT2AMAPT
SCHEMBL12107998 0.84 PDK2 (0.44) PDK2LTA4HMEN1KMT2ALMNA
SCHEMBL13098366 0.84 PDK2 (0.55) PDK2LTA4HMEN1KMT2ALMNA

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-113897193-B Blue luminescent material based on dibenzofuran derivatives 南京邮电大学 2023-10-27 CN disclosed