SCHEMBL11486641

SCHEMBL11486641

CC(C)CN(CC(C)C)CN1C(=O)CNC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
RIN1 Q13671 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17574696 0.77 TSHR (0.46) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL839301 0.76 TSHR (0.48) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL11495312 0.76 TSHR (0.48) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL19162068 0.74 TSHR (0.43) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL11484858 0.73 TSHR (0.42) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL11486030 0.73 TSHR (0.39) TSHRGSK3AGSK3B
SCHEMBL11484084 0.73 TSHR (0.39) TSHRGSK3AGSK3B
SCHEMBL29304531 0.69 TSHR (0.46) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL10702274 0.69 TSHR (0.50) TSHRGSK3AGSK3BABL1LMNA
SCHEMBL181570 0.69

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-4189587-A CORROSION RESISTANCE CIBA-GEIGY CORPORATION (US) 1980-02-19 US disclosed