SCHEMBL27688984

SCHEMBL27688984

Nc1ccc(Sc2ccccc2NC(=O)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 6/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
BLM P54132 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GLA P06280 1/20 0.47
NOD2 Q9HC29 1/20 0.47
KMT2A Q03164 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.46
CETP P11597 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 3/20 0.42
JAK2 O60674 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL27688958 0.88 TDP1 (0.62) TDP1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL28770107 0.86 L3MBTL1 (0.60) TDP1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL9574413 0.78 CETP (0.69) MAPTL3MBTL1ALDH1A1HPGDCETP
SCHEMBL27689090 0.77 SLC6A2 (0.48) TDP1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL9574421 0.75 CETP (0.51) MAPTL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL9131197 0.74 PDK1 (0.53) MAPTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL6934961 0.74 RAB9A (0.54) MAPTL3MBTL1ALDH1A1GLAKMT2A
SCHEMBL27708750 0.73 PDK1 (0.53) MAPTL3MBTL1ALDH1A1LMNAGLA
SCHEMBL6937514 0.73 MEN1 (0.65) TDP1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL6940824 0.73 L3MBTL1 (0.52) TDP1MAPTL3MBTL1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101070297-B 2,2,2-trifluoro-N-(2-arylsulf)-a rylamide derivatives and preparing method UNIV SHANGHAI 2010-05-19 CN disclosed
CN-101070297-A 2,2,2-trifluoro-N-(2-arylsulf)-a rylamide derivatives and preparing method UNIV SHANGHAI (CN) 2007-11-14 CN disclosed