SCHEMBL11032742

SCHEMBL11032742

CCN1c2cc(C=Cc3ccc(N)cc3)ccc2Sc2ccc(C=Cc3ccc(N)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.42
NQO2 P16083 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CSNK1E P49674 3/20 0.39
CLK1 P49759 3/20 0.39
CLK3 P49761 3/20 0.39
DYRK1A Q13627 3/20 0.39
DYRK1B Q9Y463 3/20 0.39
CLK2 P49760 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK3 O43781 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK4 Q9NR20 1/20 0.39
APP P05067 2/20 0.38
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL29214090 0.78 NOX1 (0.53) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL27719126 0.76 ADRA2A (0.55) MAOAMAPTHSD17B10MEN1KMT2A
SCHEMBL11355946 0.68 KDM4E (0.57) CYP19A1NQO2MAOAMAOBMAPT
SCHEMBL4016027 0.67 CLK1 (0.74) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL20525389 0.67 LMNA (0.65) MAPTMEN1KMT2AAPOBEC3ASMN1; SMN2
SCHEMBL9680836 0.66 CYP19A1 (0.78) CYP19A1NQO2MAOAMAOBAPP
SCHEMBL7646748 0.66 CYP19A1 (0.78) CYP19A1NQO2MAOAMAOBAPP
SCHEMBL65443 0.66 CYP19A1 (0.78) CYP19A1NQO2MAOAMAOBAPP
SCHEMBL65444 0.66 CYP19A1 (0.78) CYP19A1NQO2MAOAMAOBAPP
SCHEMBL11244660 0.66 CYP19A1 (0.78) CYP19A1NQO2MAOAMAOBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59051949-A None JP disclosed
JP-S5951949-A DISAZO COMPOUND, AND PHOTOCONDUCTIVE COMPOSITION AND ELECTROPHOTOGRAPHIC MATERIAL CONTAINING THE SAME FUJI PHOTO FILM CO LTD 1984-03-26 JP disclosed