SCHEMBL6984466

SCHEMBL6984466

CC1Cc2cccc(NS(=O)(=O)c3ccccc3)c2N(C(=O)CCc2ccc(C#N)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
STAT3 P40763 1/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LSS P48449 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CCR10 P46092 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 2/20 0.36
ACLY P53396 1/20 0.36

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
SCHEMBL6984122 0.85 F2 (0.42) TDP1L3MBTL1KMT2AHDAC4HDAC1
SCHEMBL6985322 0.84 GAA (0.41) LSSKMT2AHDAC4HDAC1HDAC8
SCHEMBL6984463 0.83 POLB (0.44) KMT2AHDAC4HDAC1HDAC8ALDH1A1
SCHEMBL6981477 0.82 GAA (0.38) TDP1STAT3DPP8DPP9L3MBTL1
SCHEMBL6985050 0.82 ALDH1A1 (0.39) TDP1STAT3L3MBTL1LSSKMT2A
SCHEMBL6974890 0.80 DPP8 (0.37) DPP8DPP9L3MBTL1KMT2ANPC1
SCHEMBL6985749 0.79 ALDH1A1 (0.48) TDP1L3MBTL1KMT2AGAAALDH1A1
SCHEMBL7411038 0.77 PKM (0.43) TDP1L3MBTL1KMT2AGAAALDH1A1
SCHEMBL6983851 0.77 KCNJ1 (0.39) TDP1DPP8DPP9L3MBTL1KMT2A
SCHEMBL6984759 0.77 LMNA (0.47) KMT2AGAAALDH1A1MAPT

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed