SCHEMBL29907923

SCHEMBL29907923

c1ccc(-c2cccc(Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.48
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.38
MGLL Q99685 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SYK P43405 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL15677718 1.00 PDK2 (0.48) PDK2MEN1KMT2APOLBMAPT
SCHEMBL22182348 0.94 PDK2 (0.46) PDK2MEN1KMT2APOLBMAPT
SCHEMBL17194800 0.93 PDK2 (0.47) PDK2MEN1KMT2APOLBMAPT
SCHEMBL20871521 0.93 PDK2 (0.46) PDK2MEN1KMT2APOLBMAPT
SCHEMBL29518615 0.93 PDK2 (0.51) PDK2MEN1KMT2AMAPTALDH1A1
SCHEMBL17886978 0.93 PDK2 (0.51) PDK2MEN1KMT2AMAPTALDH1A1
SCHEMBL24883036 0.91 PDK2 (0.45) PDK2MEN1KMT2APOLBMAPT
SCHEMBL25034115 0.91 PDK2 (0.45) PDK2MEN1KMT2APOLBMAPT
SCHEMBL20871516 0.91 MEN1 (0.41) PDK2MEN1KMT2APOLBMAPT
SCHEMBL15003689 0.91 PDK2 (0.50) PDK2MEN1KMT2APOLBMAPT

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-118235072-A Optical film and polarizing plate 东曹株式会社 2024-06-21 CN disclosed
WO-2022206422-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME, ORGANIC ELECTROLUMINESCENT APPARATUS, AND ELECTRONIC DEVICE 北京八亿时空液晶科技股份有限公司 2022-10-06 WO disclosed