SCHEMBL6501926

SCHEMBL6501926

COc1nc(C)c(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 4/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CA2 P00918 1/20 0.41
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
RIPK1 Q13546 1/20 0.39
CHRM4 P08173 1/20 0.38

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
SCHEMBL6494246 0.93 LMNA (0.44) KMT2AMEN1LMNAPDE10AMAPT
SCHEMBL6506024 0.84 MAPT (0.47) KMT2AMEN1LMNAPDE10AMAPT
SCHEMBL6505651 0.84 HPGD (0.49) KMT2AMEN1LMNAPDE10AMAPT
SCHEMBL6506747 0.81 CA2 (0.48) KMT2ALMNAPDE10AMAPTHPGD
SCHEMBL6503028 0.81 PDE10A (0.47) KMT2ALMNAPDE10AMAPTHPGD
SCHEMBL6495876 0.78 HPGD (0.44) KMT2AMEN1LMNAPDE10AMAPT
SCHEMBL6503133 0.78 LMNA (0.56) KMT2AMEN1LMNAPDE10AMAPT
SCHEMBL6502341 0.77 EPHX2 (0.44) KMT2AMEN1LMNAPDE10AMAPT
SCHEMBL6497335 0.75 MEN1 (0.53) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL6498700 0.75 HPGD (0.47) LMNAMAPTHPGDALDH1A1TSHR

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