SCHEMBL6459735

SCHEMBL6459735

CC(C)(Cl)C(c1ccccc1)S(=O)(=O)C(c1ccccc1)C(C)(C)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 1/20 0.36
TSHR P16473 1/20 0.36
SRC P12931 1/20 0.35
KEAP1 Q14145 1/20 0.34
RIPK1 Q13546 1/20 0.34
NR3C2 P08235 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8370991 0.78 SRC (0.40) ALDH1A1LMNATSHRSRC
SCHEMBL1572640 0.75 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EGMNNLMNA
SCHEMBL4126232 0.74 CA1 (0.39) ALDH1A1MAPTKMT2ANPSR1TDP1
SCHEMBL4279670 0.71 SRC (0.48) ALDH1A1MAPTKDM4EGMNNLMNA
SCHEMBL4139846 0.71 POLB (0.38) ALDH1A1MAPTPOLBKMT2ANPSR1
SCHEMBL27300404 0.69 TSHR (0.42) ALDH1A1LMNAHPGDTDP1SLC6A4
SCHEMBL30923543 0.69 SLC6A4 (0.45) ALDH1A1KDM4ELMNAKMT2ASLC6A4
SCHEMBL21216561 0.68 CA1 (0.38) ALDH1A1MAPTKDM4EGMNNLMNA
SCHEMBL12251538 0.68 RIPK1 (0.39) ALDH1A1MAPTKDM4EGMNNLMNA
SCHEMBL12492703 0.68 CA1 (0.39) ALDH1A1MAPTKDM4EGMNNLMNA

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
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO disclosed