SCHEMBL24166840

SCHEMBL24166840

CC1(C)c2ccc(Nc3ccccc3)cc2-c2c(-c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AR P10275 1/20 0.33
▸ APP P05067 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL22920913 0.93 MEN1 (0.37) PDK2MEN1KMT2APOLBESR1
SCHEMBL22182353 0.90 PDK2 (0.35) PDK2MEN1KMT2APOLBESR1
SCHEMBL23697275 0.90 ESR1 (0.35) PDK2MEN1KMT2APOLBESR1
SCHEMBL23697146 0.89 PDK2 (0.38) PDK2MEN1KMT2APOLBESR1
SCHEMBL20871524 0.86 MAPT (0.41) PDK2MEN1KMT2APOLBESR1
SCHEMBL22182463 0.85 PDK2 (0.36) PDK2MEN1KMT2APOLBMAPT
SCHEMBL22182349 0.85 PDK2 (0.38) PDK2MEN1KMT2APOLBMAPT
SCHEMBL23696867 0.84 PDK2 (0.42) PDK2MEN1KMT2APOLBESR1
SCHEMBL22920889 0.84 PDK2 (0.37) PDK2MEN1KMT2APOLBESR1
SCHEMBL24883228 0.83 MAPT (0.46) PDK2MEN1KMT2APOLBESR1

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
WO-2022004994-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2022-01-06 — — WO disclosed
Send feedback