SCHEMBL8216641

SCHEMBL8216641

CC1(C)C2CC[C@]13CS(=O)(=O)N(C(=O)[C@](C)(N)CC=N)[C@@H]3C2

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL419114 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL16657108 0.79 ALDH1A1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL26478517 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL14587117 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL16021267 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL1930450 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL12190315 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL12493728 0.74 ALDH1A1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL20825754 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL6958707 0.74 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A

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-2008065503-A1 (R) -5-METHYL-4, 5-DIHYDRO- PYRAZOLE-1, 5-DICARBOXYLIC ACID 1- [ ( 4 -CHLOROPHENYL) AMIDE 5-{ [2-FLUORO-4- (2-OXO-2H-PYRIDIN-1-YL) -PHENYL]AMIDE) AS A FACTOR XA INHIBITOR PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed