SCHEMBL15470249

SCHEMBL15470249

c1ccc(-c2cccc(-c3ccc4c(c3)N(c3ccccc3)c3cc(-c5cccc(-c6ccccc6)c5)ccc3N4c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.37
GPR3 P46089 1/20 0.37
LIMK1 P53667 1/20 0.35
FAAH O00519 2/20 0.34
MGLL Q99685 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE6D O43924 1/20 0.32

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
SCHEMBL15470253 0.96 GPR3 (0.38) PIM3GPR3LIMK1FAAHMGLL
SCHEMBL15470245 0.90 GPR3 (0.42) PIM3GPR3LIMK1FAAHMGLL
SCHEMBL15470252 0.89 PIM3 (0.38) PIM3GPR3LIMK1ALDH1A1CYP1A2
SCHEMBL15470247 0.88 PIM3 (0.36) PIM3GPR3LIMK1FAAHMGLL
SCHEMBL15470078 0.85 GPR3 (0.33) PIM3GPR3LIMK1ALDH1A1CYP1A2
SCHEMBL15470205 0.84 PIM3 (0.37) PIM3GPR3LIMK1FAAHMGLL
SCHEMBL16884819 0.84 PIM3 (0.40) PIM3GPR3LIMK1FAAHMGLL
SCHEMBL15470484 0.84 GPR3 (0.33) PIM3GPR3LIMK1CYP1A2PTPN7
SCHEMBL15470404 0.84
SCHEMBL15470109 0.84 PDE6D (0.32) PDE6D

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