SCHEMBL6503133

SCHEMBL6503133

CCOc1ncc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 2/20 0.43
PPARG P37231 6/20 0.41
MPC2 O95563 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 3/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP3A4 P08684 1/20 0.39
RXRA P19793 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.38
MAPK8 P45983 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL6506024 0.92 MAPT (0.47) LMNAMAPTPPARGMPC2CYP2C8
SCHEMBL6498700 0.83 HPGD (0.47) LMNAMAPTHPGDROCK2ROCK1
SCHEMBL6494246 0.79 LMNA (0.44) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL6501926 0.78 KMT2A (0.45) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL6495876 0.74 HPGD (0.44) LMNAMAPTPPARGMEN1KMT2A
SCHEMBL6503028 0.73 PDE10A (0.47) LMNAMAPTKMT2AHPGDPDE10A
SCHEMBL6506747 0.73 CA2 (0.48) LMNAMAPTPPARGKMT2AHPGD
SCHEMBL6502341 0.72 EPHX2 (0.44) LMNAMAPTPPARGMEN1KMT2A
SCHEMBL6503004 0.72 HPGD (0.46) LMNAMAPTHPGDROCK2ROCK1
SCHEMBL6505651 0.70 HPGD (0.49) LMNAMAPTMEN1KMT2AHPGD

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed