SCHEMBL19928539

SCHEMBL19928539

CC(CCC(C)N1CCC2(CC1)COC2)N1CCC2(CC1)CNC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19928546 0.87 CYP1A2 (0.32)
SCHEMBL22414444 0.83 USP2 (0.31)
SCHEMBL18842878 0.81 TSHR (0.35)
SCHEMBL21160556 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL20153166 0.78 TSHR (0.33)
SCHEMBL24688458 0.78 OPRM1 (0.32) MEN1KMT2A
SCHEMBL18559605 0.77
SCHEMBL18559577 0.77 TSHR (0.37)
SCHEMBL12890329 0.72 CYP2D6 (0.39) MEN1KMT2A
SCHEMBL12026662 0.72 CYP2D6 (0.39) MEN1KMT2A

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
US-9908886-B2 Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-06 US disclosed