SCHEMBL15470484

SCHEMBL15470484

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4N5c4ccccc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
PIM3 Q86V86 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CYP1A2 P05177 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
LIMK1 P53667 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
SCHEMBL15470110 0.96 GPR3 (0.33) GPR3PIM3TNKSTNKS2CYP1A2
SCHEMBL15470078 0.94 GPR3 (0.33) GPR3PIM3CYP1A2PTPN7DUSP3
SCHEMBL15672194 0.94 GPR3 (0.35) GPR3PIM3TNKSTNKS2CYP1A2
SCHEMBL15470029 0.88 BCHE (0.33)
SCHEMBL15470253 0.88 GPR3 (0.38) GPR3PIM3TNKSTNKS2CYP1A2
SCHEMBL15469926 0.87
SCHEMBL17943703 0.86 ALDH1A1 (0.36) GPR3PIM3TNKSTNKS2LIMK1
SCHEMBL17943590 0.86 ALDH1A1 (0.36) GPR3PIM3TNKSTNKS2LIMK1
SCHEMBL15469825 0.86
SCHEMBL15469978 0.86 HDAC6 (0.31)

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