SCHEMBL26233147

SCHEMBL26233147

c1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc4)cc3)cc2)c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
PIM3 Q86V86 1/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
LIMK1 P53667 1/20 0.38
APP P05067 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL15964372 1.00 GPR3 (0.47) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL26233183 1.00 GPR3 (0.47) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL19429315 1.00 GPR3 (0.47) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL15850946 1.00 GPR3 (0.47) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL75844 1.00 GPR3 (0.47) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL17126551 0.98 GPR3 (0.45) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL15850906 0.98 GPR3 (0.45) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL26229020 0.98 GPR3 (0.45) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL15850951 0.98 GPR3 (0.45) GPR3PIM3CYP1A2MAPTALDH1A1
SCHEMBL15850943 0.98 GPR3 (0.45) GPR3PIM3CYP1A2MAPTALDH1A1

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-3185333-B1 ORGANOSELENIUM MATERIALS AND THEIR USES IN ORGANIC LIGHT EMITTING DEVICES UNIVERSAL DISPLAY CORP (US) 2023-09-06 EP disclosed