SCHEMBL14769865

SCHEMBL14769865

COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.41
ACHE P22303 1/20 0.41
RPS6KA2 Q15349 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4D Q08499 1/20 0.34
GPR3 P46089 1/20 0.34
CES1 P23141 1/20 0.34
TP53 P04637 1/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL19319141 1.00 PDK2 (0.41) PDK2ACHERPS6KA2ALDH1A1LMNA
SCHEMBL185216 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL20159380 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL29352894 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL30182778 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL29589092 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL29353071 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL259184 0.94 PDK2 (0.44) PDK2RPS6KA2ABL1ABCB1BCR
SCHEMBL19319144 0.93 ACHE (0.47) ACHEALDH1A1LMNANPSR1KDM4E
SCHEMBL25874573 0.93 ACHE (0.47) ACHEALDH1A1LMNANPSR1KDM4E

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
US-20130061929-A1 PHOTOELECTRIC CONVERSION ELEMENT, METHOD FOR PRODUCING PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2013-03-14 US disclosed