SCHEMBL714553

SCHEMBL714553

Cc1cc2cc(C(N)S(=O)(=O)c3ccc(Cl)cc3Cl)ccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.38
PHGDH O43175 7/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 5/20 0.37
MAPT P10636 5/20 0.37
KMT2A Q03164 5/20 0.37
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
THRB P10828 3/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
S100A4 P26447 1/20 0.34

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
SCHEMBL4882690 0.73 BRPF1 (0.45) ACLYALDH1A1MEN1MAPTKMT2A
SCHEMBL435737 0.72 RXFP1 (0.47) ACLYALDH1A1MEN1MAPTKMT2A
SCHEMBL714554 0.71 ALDH1A1 (0.64) ALDH1A1MEN1MAPTKMT2APTGDR
SCHEMBL715944 0.71 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL715496 0.69 ADRA2B (0.43) MAPTKMT2AKDM4ETDP1GAA
SCHEMBL23866836 0.66 MEN1 (0.44) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL13797489 0.64 TRPV4 (0.48) ALDH1A1MEN1MAPTKMT2A
SCHEMBL28861312 0.62 CA12 (0.54) ALDH1A1MEN1MAPTKMT2ATHRB
SCHEMBL23251426 0.62 TRPV4 (0.47) ALDH1A1MAPTTDP1
SCHEMBL10222171 0.62 PSMB8 (0.42) ALDH1A1MEN1MAPTKMT2ATHRB

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