SCHEMBL10032386

SCHEMBL10032386

c1ccc2cc(-c3ccc4ccc5ccc(-c6ccc(-c7cc(-c8ccc9ccccc9c8)c8ccc9ccc(-c%10ccc%11ccccc%11c%10)cc9c8n7)cc6)nc5c4c3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CLK2 P49760 1/20 0.40
HIPK1 Q86Z02 1/20 0.40
DYRK2 Q92630 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
HIPK3 Q9H422 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
GSTP1 P09211 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIM1 P11309 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
SCHEMBL10032516 0.89 CYP17A1 (0.47) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL10032522 0.88 ESR1 (0.47) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL10032385 0.87 ACACA (0.40) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL10032264 0.87 CYP1A1 (0.47) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL10032378 0.85 CYP1A2 (0.46) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL9976734 0.84 CYP1A1 (0.47) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL10032374 0.83 ENPP1 (0.41) CLK2HIPK1DYRK2HIPK2HIPK3
SCHEMBL9976756 0.83 CYP1A2 (0.46) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL10032531 0.82 CYP11B1 (0.47) CYP1A1CYP1B1CLK2HIPK1DYRK2
SCHEMBL10032324 0.82 CYP17A1 (0.44) CYP1A1CYP1B1CLK2HIPK1DYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-8114529-B2 Material for lighting emitting device and light emitting device TORAY INDUSTRIES, INC. (JP) 2012-02-14 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed
US-20070267958-A1 Material for Light Emitting Device and Light Emitting Device TORAY INDUSTRIES, INC. (JP) 2007-11-22 US disclosed