SCHEMBL3799743

SCHEMBL3799743

ClCc1cnc2ccoc2c1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.33
DYRK1A Q13627 1/20 0.30

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
SCHEMBL3802865 0.81 RECQL (0.36) CYP19A1DYRK1A
SCHEMBL10855251 0.81 NOS3 (0.36)
SCHEMBL248513 0.79 CHRM2 (0.33) CYP19A1
SCHEMBL22778675 0.77 HTR1B (0.39)
SCHEMBL10555013 0.75 HRH3 (0.38)
SCHEMBL24655972 0.71 DYRK1A (0.33) DYRK1A
SCHEMBL1269987 0.71 FTO (0.40) DYRK1A
SCHEMBL31168602 0.71 TRPA1 (0.34) DYRK1A
SCHEMBL827713 0.71 CYP1A2 (0.44) DYRK1A
SCHEMBL457106 0.71 DYRK1A (0.38) DYRK1A

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
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed