SCHEMBL6506024

SCHEMBL6506024

COc1ncc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PDE10A Q9Y233 1/20 0.42
PPARG P37231 4/20 0.41
MPC2 O95563 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
FFAR1 O14842 2/20 0.39
PTPN1 P18031 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL6503133 0.92 LMNA (0.56) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL6498700 0.91 HPGD (0.47) MAPTLMNAROCK2ROCK1HPGD
SCHEMBL6494246 0.85 LMNA (0.44) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL6501926 0.84 KMT2A (0.45) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL30990019 0.78 LMNA (0.57) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL6506747 0.78 CA2 (0.48) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL6503028 0.78 PDE10A (0.47) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL30989879 0.77 LMNA (0.55) MAPTLMNAROCK2ROCK1PDE10A
SCHEMBL6505651 0.76 HPGD (0.49) MAPTLMNAPDE10AKMT2AMEN1
SCHEMBL6495876 0.74 HPGD (0.44) MAPTLMNAPDE10APPARGKMT2A

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