SCHEMBL7091162

SCHEMBL7091162

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 1/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 1/20 0.52
TOP2A P11388 1/20 0.52
TOP2B Q02880 1/20 0.52
ROCK2 O75116 1/20 0.52
GAA P10253 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51

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
SCHEMBL7090262 0.88 NAMPT (0.63) TSHRL3MBTL1LMNAROCK2
SCHEMBL7090663 0.87 PRMT1 (0.58) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7086229 0.86 KMT2A (0.55) MAPTHTTTSHRKMT2AMEN1
SCHEMBL6303962 0.84 F10 (0.60)
SCHEMBL7089530 0.84 ALDH1A1 (0.57) KMT2AMEN1L3MBTL1ALDH1A1LMNA
SCHEMBL6298719 0.83 F10 (0.48) TSHRALDH1A1
SCHEMBL7092320 0.83 RAB9A (0.54) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7090958 0.82 CIT (0.50) ALDH1A1GAAHDAC3HDAC4HDAC1
SCHEMBL7090461 0.81 HDAC1 (0.47) MAPTTSHRKMT2AMEN1RAB9A
SCHEMBL13356363 0.79 MAPT (0.80) MAPTHTTTSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP claimed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO claimed
EP-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO disclosed