SCHEMBL10022912

SCHEMBL10022912

CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(F)c(F)c(F)c(N[C@H]3CS(=O)(=O)C[C@@H]3O)c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.50
DPP4 P27487 5/20 0.50
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
POLB P06746 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
SCHEMBL10022911 1.00 ANPEP (0.50) ANPEPDPP4KMT2AALDH1A1SMN1; SMN2
SCHEMBL10022913 0.79 ANPEP (0.51) ANPEPDPP4KMT2AALDH1A1SMN1; SMN2
SCHEMBL2519233 0.78 ANPEP (0.57) ANPEPDPP4KMT2AGAANR1H2
SCHEMBL2481189 0.76 DPP4 (0.80) ANPEPDPP4NR1H2NR1H3
SCHEMBL2477491 0.74 ANPEP (0.61) ANPEPDPP4KMT2ASMN1; SMN2NR1H2
SCHEMBL2477514 0.72 ANPEP (0.58) ANPEPDPP4KMT2ASMN1; SMN2NR1H2
SCHEMBL2989683 0.72 ANPEP (0.55) ANPEPDPP4KMT2AGAANR1H2
SCHEMBL2479315 0.71 ANPEP (0.57) ANPEPDPP4KMT2ANR1H2NR1H3
SCHEMBL4864907 0.71 ANPEP (0.54) ANPEPDPP4KMT2AALDH1A1NR1H2
SCHEMBL2476501 0.70 ANPEP (0.59) ANPEPDPP4KMT2ASMN1; SMN2NR1H2

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-2012085608-A2 USE OF TRIFLUORO PHTHALIMIDES FOR THE TREATMENT OF CANCEROUS DISEASES "AVIDIN" KUTATÓ, FEJLESZTÖ ÉS KERESKEDELMI KORLÁTOLT (HU) 2012-06-28 WO disclosed