SCHEMBL23028877

SCHEMBL23028877

Clc1cc2c3c(c1)-c1ccccc1C3(c1ccccc1)c1ccccc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
OPRK1 P41145 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 3/20 0.33
CYP19A1 P11511 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
POLB P06746 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
MLNR O43193 2/20 0.30
NR1I2 O75469 2/20 0.30

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
SCHEMBL23028874 0.84 PDK2 (0.38) MEN1KMT2ALMNAOPRK1KDM4E
SCHEMBL23028823 0.83 MEN1 (0.43) MEN1KMT2ALMNAOPRK1KDM4E
SCHEMBL23028920 0.81 SMN1; SMN2 (0.42) MEN1KMT2ALMNAOPRK1KDM4E
SCHEMBL23208383 0.78 PDK2 (0.41) MEN1KMT2ALMNAOPRK1KDM4E
SCHEMBL23697271 0.77 ACHE (0.44) MEN1KMT2ALMNAOPRK1PDK2
SCHEMBL23372318 0.77 PDK2 (0.44) MEN1KMT2ALMNAOPRK1PDK2
SCHEMBL23372316 0.77 PDK2 (0.51) MEN1KMT2ALMNAOPRK1KDM4E
SCHEMBL23028824 0.75 MEN1 (0.42) MEN1KMT2ALMNAOPRK1KDM4E
SCHEMBL23372313 0.74 BCHE (0.47) MEN1KMT2ALMNAPDK2BCHE
SCHEMBL22891491 0.74 PDK2 (0.47) MEN1KMT2ALMNAPDK2BCHE

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-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed