SCHEMBL22600792

SCHEMBL22600792

CC1(C)c2ccccc2-c2ccc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.46
PDK2 Q15119 8/20 0.41
ALDH1A1 P00352 1/20 0.38
PDE6D O43924 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL22600944 0.97 PGR (0.41) PGRPDK2MEN1KMT2A
SCHEMBL22600933 0.93 PGR (0.40) PGRPDK2MEN1KMT2A
SCHEMBL13827537 0.91 PDK2 (0.42) PGRPDK2PDE6DMEN1KMT2A
SCHEMBL15495041 0.90 PDK2 (0.43) PGRPDK2PDE6D
SCHEMBL15469297 0.90 PDK2 (0.43) PGRPDK2PDE6D
SCHEMBL15469331 0.90 PDK2 (0.43) PGRPDK2PDE6D
SCHEMBL13827555 0.90 PDK2 (0.43) PGRPDK2PDE6D
SCHEMBL15464166 0.90 PDK2 (0.43) PGRPDK2PDE6D
SCHEMBL12933999 0.90 PGR (0.37) PGRPDK2ALDH1A1PDE6D
SCHEMBL15469270 0.90 PGR (0.47) PGRPDK2ALDH1A1

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-20200343453-A1 LIGHT-EMITTING MATERIAL, ORGANIC LIGHT-EMITTING ELEMENT, AND COMPOUND Kyushu University, University Corporation (JP) 2020-10-29 US disclosed