SCHEMBL15470211

SCHEMBL15470211

Cc1ccc2c(c1)Sc1cc(-c3ccccc3)ccc1N2c1ccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.33
ROCK1 Q13464 1/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR3 P46089 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
LIMK1 P53667 1/20 0.32
DRD3 P35462 1/20 0.31
ACLY P53396 1/20 0.31
PMM2 O15305 2/20 0.30
MPI P34949 2/20 0.30
PHOSPHO1 Q8TCT1 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15470207 0.96 GPR3 (0.34) PIM3ROCK1CYP1A2MEN1CYP2C9
SCHEMBL15470205 0.93 PIM3 (0.37) PIM3ROCK1CYP1A2GPR3PTPN7
SCHEMBL15470214 0.90 HDAC6 (0.38) PIM3ROCK1CYP1A2MEN1KMT2A
SCHEMBL15470314 0.86 ALOX5 (0.42) CYP1A2MEN1CYP2C9CYP2C19KMT2A
SCHEMBL22907700 0.86
SCHEMBL15470248 0.84 PIM3 (0.33) PIM3ROCK1CYP1A2GPR3PTPN7
SCHEMBL15470209 0.84 PDE6D (0.36) PIM3LIMK1
SCHEMBL15470174 0.83 LIMK1 (0.33) PIM3ROCK1CYP1A2GPR3PTPN7
SCHEMBL15470204 0.83 HDAC6 (0.42) PIM3CYP1A2GPR3PTPN7DUSP3
SCHEMBL15470217 0.82

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed