SCHEMBL18922437

SCHEMBL18922437

C=C1CC(=O)CC(C)(C)P1c1ccccc1-c1ccccc1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18922610 0.90 NSD2 (0.40) NSD2ALDH1A1EGFRLMNAMAPT
SCHEMBL18922603 0.84 CA1 (0.35) NSD2ALDH1A1EGFRLMNAMAPT
SCHEMBL18922613 0.82 NPC1 (0.33) ALDH1A1LMNAMAPT
SCHEMBL351835 0.79 ALDH1A1 (0.37) NSD2ALDH1A1EGFRLMNAMAPT
SCHEMBL18922478 0.76 CA1 (0.37) ALDH1A1EGFRLMNAMAPTMAPK1
SCHEMBL10281272 0.75
SCHEMBL10280892 0.75 ABL1 (0.40) MAPT
SCHEMBL10280966 0.73 CA1 (0.41)
SCHEMBL10280915 0.73 TP53 (0.30)
SCHEMBL352694 0.69 L3MBTL1 (0.45) NSD2ALDH1A1EGFRLMNAMAPT

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-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed