SCHEMBL10110908

SCHEMBL10110908

COc1ccc(C2OCCO2)c2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
KMT2A Q03164 3/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
NSD2 O96028 2/20 0.40

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
SCHEMBL27196389 0.81 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL703334 0.78 KDM4E (0.50) KMT2APDE4DKDM4EALDH1A1GAA
SCHEMBL1506959 0.76 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL3693025 0.75 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL12600028 0.75 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL9028027 0.74 MAOA (0.42) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL30297578 0.74 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL9026884 0.72 PDE4D (0.46) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL3147583 0.72 PSMD14 (0.58) HTR1AADRA1DADRA1AADRA1BKMT2A
SCHEMBL9186410 0.70 KMT2A (0.55) HTR1AADRA1DADRA1AADRA1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
US-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
WO-2008016762-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-02-07 WO disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed