SCHEMBL28873476

SCHEMBL28873476

[c]1cn(C2CCNCC2)nn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL16704255 0.81
SCHEMBL592596 0.71 MEN1 (0.39) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL1559522 0.68 MEN1 (0.33) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL15383467 0.65 CHRNB2 (0.44) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL1992597 0.65 IDO1 (0.35) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL3480723 0.65 MEN1 (0.38) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL2386671 0.64 CHRNB2 (0.38) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL3867712 0.64 IDO1 (0.35) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL3863568 0.64 HCAR2 (0.37) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL1991683 0.61 MEN1 (0.38) MEN1ALDH1A1MAPTPKMALOX15

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
CN-109790143-A Amine-linked C for target protein degradation3-glutarimide solution stator body C4医药公司 2019-05-21 CN disclosed