SCHEMBL19258048

SCHEMBL19258048

C1=C(c2ccccc2)CCC(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.42
GPR3 P46089 1/20 0.37
LIMK1 P53667 1/20 0.35
CYP1A2 P05177 2/20 0.34
PTGIR P43119 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 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ROCK1 Q13464 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
SCHEMBL17126551 0.90 GPR3 (0.45) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL15850943 0.90 GPR3 (0.45) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL26233479 0.90 GPR3 (0.45) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL15850951 0.90 GPR3 (0.45) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL26229020 0.90 GPR3 (0.45) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL15850906 0.90 GPR3 (0.45) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL15964367 0.89 GPR3 (0.47) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL74964 0.89 GPR3 (0.47) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL15964366 0.89 GPR3 (0.47) PIM3GPR3LIMK1CYP1A2PTGIR
SCHEMBL75844 0.89 GPR3 (0.47) PIM3GPR3LIMK1CYP1A2PTGIR

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
EP-3205658-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-08-16 EP disclosed