SCHEMBL23935973

SCHEMBL23935973

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.39
ROCK1 Q13464 1/20 0.38
LIMK1 P53667 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
GPR3 P46089 1/20 0.33
PDK2 Q15119 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
F9 P00740 2/20 0.33
TRIM58 Q8NG06 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL23936271 0.94 MAPT (0.34) PIM3ROCK1MEN1KMT2AALDH1A1
SCHEMBL23936169 0.94 PIM3 (0.35) PIM3ROCK1LIMK1MEN1KMT2A
SCHEMBL23936464 0.91 PIM3 (0.39) PIM3ROCK1LIMK1MEN1KMT2A
SCHEMBL17693930 0.90 PIM3 (0.37) PIM3ROCK1LIMK1MEN1KMT2A
SCHEMBL15501378 0.90 PIM3 (0.37) PIM3ROCK1LIMK1MEN1KMT2A
SCHEMBL23936720 0.90 PIM3 (0.34) PIM3ROCK1LIMK1PIM1PIM2
SCHEMBL15501881 0.87 MAPT (0.34) PIM3ROCK1MEN1KMT2AALDH1A1
SCHEMBL23936690 0.87 MAPT (0.34) PIM3ROCK1MEN1KMT2AALDH1A1
SCHEMBL23437275 0.87 PIM3 (0.39) PIM3ROCK1LIMK1MEN1KMT2A
SCHEMBL23032779 0.87 PIM3 (0.39) PIM3ROCK1LIMK1MEN1KMT2A

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