SCHEMBL13488015

SCHEMBL13488015

CN1c2ccccc2C(=O)C2CC3C(CC21)C(=O)c1ccccc1N3C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
HPGD P15428 4/20 0.42
ACHE P22303 2/20 0.41
GPR3 P46089 1/20 0.41
GAA P10253 2/20 0.40
CES1 P23141 2/20 0.39
TTR P02766 1/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
GLA P06280 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
CASP7 P55210 1/20 0.38
ALOX15 P16050 1/20 0.37
NOTUM Q6P988 1/20 0.35
BCHE P06276 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CACNA1B Q00975 1/20 0.34

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
SCHEMBL21312451 0.83 LMNA (0.45) KDM4EALDH1A1HPGDACHEGPR3
SCHEMBL20442408 0.76 KDM4E (0.44) KDM4EALDH1A1GAALMNATSHR
SCHEMBL19337007 0.75 GPR3 (0.42) ACHEGPR3NOTUM
SCHEMBL19707151 0.75 GPR3 (0.42) ACHEGPR3NOTUM
SCHEMBL19854406 0.75 ALDH1A1 (0.49) KDM4EALDH1A1HPGDGPR3GAA
SCHEMBL6974773 0.73 GPR3 (0.60) KDM4EALDH1A1HPGDACHEGPR3
SCHEMBL68922 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDGPR3GAA
SCHEMBL18648461 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDGPR3GAA
SCHEMBL5804657 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDACHEGPR3
Hydrochloric Acid SCHEMBL27740780 0.72 GPR3 (0.58) KDM4EALDH1A1HPGDACHEGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100038632-A1 ELECTROLUMINESCENT DEVICE OLED-T LIMITED (GB) 2010-02-18 US disclosed
US-20100038632-A1 ELECTROLUMINESCENT DEVICE OLED-T LIMITED (GB) 2010-02-18 US disclosed
US-20070254183-A1 Electroluminescent materials and deivces MERCK PATENT GMBH (DE) 2007-11-01 US disclosed