SCHEMBL23936720

SCHEMBL23936720

CC1(C)c2cc(-c3ccccc3)ccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cccc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.34
ROCK1 Q13464 1/20 0.34
SLC9A1 P19634 2/20 0.32
PDK2 Q15119 1/20 0.31
LIMK1 P53667 1/20 0.31
F9 P00740 1/20 0.30
ALOX5 P09917 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 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
SCHEMBL23936085 0.94 SLC9A1 (0.35) PIM3ROCK1SLC9A1F9ALOX5
SCHEMBL23936240 0.94 SLC9A1 (0.34) PIM3SLC9A1F9ALOX5
SCHEMBL19039172 0.91 PIM3 (0.33) PIM3ROCK1SLC9A1F9ALOX5
SCHEMBL23935973 0.90 PIM3 (0.39) PIM3ROCK1PDK2LIMK1F9
SCHEMBL23770505 0.89 PIM3 (0.36) PIM3ROCK1SLC9A1LIMK1F9
SCHEMBL23936271 0.88 MAPT (0.34) PIM3ROCK1SLC9A1PDK2F9
SCHEMBL22987011 0.88 SLC9A1 (0.34) PIM3SLC9A1F9ALOX5
SCHEMBL18463594 0.86 PIM3 (0.33) PIM3ROCK1SLC9A1ALOX5
SCHEMBL23936438 0.86 PDK2 (0.40) PDK2
SCHEMBL23936198 0.86 PDK2 (0.40) PDK2

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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed