SCHEMBL714554

SCHEMBL714554

Cc1cc2cc(CNS(=O)(=O)c3ccc(Cl)cc3Cl)ccc2n1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
MEN1 O00255 11/20 0.64
KMT2A Q03164 11/20 0.64
MAPT P10636 8/20 0.64
THRB P10828 7/20 0.64
RECQL P46063 5/20 0.64
S100A4 P26447 2/20 0.61
GAA P10253 2/20 0.61
POLB P06746 1/20 0.61
PABPC1 P11940 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
FGB P02675 1/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
HTT P42858 1/20 0.56
KDM4E B2RXH2 7/20 0.50
TDP1 Q9NUW8 1/20 0.50
EIF4H Q15056 1/20 0.48

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
SCHEMBL13856691 0.76 MEN1 (1.00) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL25214434 0.73 F7 (0.48) ALDH1A1MAPTPOLB
SCHEMBL4662757 0.72 CA9 (0.50) MEN1KMT2APOLBLMNA
SCHEMBL4882690 0.72 BRPF1 (0.45) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL715498 0.72 ADRA2B (0.47) ALDH1A1MAPTHTTTDP1HSD17B10
SCHEMBL715945 0.72 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL714553 0.71 ACLY (0.38) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL435737 0.71 RXFP1 (0.47) ALDH1A1MEN1KMT2AMAPTTHRB
SCHEMBL25213233 0.71 AHR (0.48) POLB
SCHEMBL904754 0.70 CA1 (0.42) ALDH1A1MEN1KMT2AMAPTTHRB

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-20120052057-A9 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2012-03-01 US claimed
US-20110150859-A1 METHOD FOR SELECTING RESPONDERS TO BLOCKADE OF INTEGRIN RECEPTORS BIOTIE THERAPIES CORPORATION (FI) 2011-06-23 US claimed