SCHEMBL4630951

SCHEMBL4630951

NS(=O)(=O)c1ccccc1C(=O)Cc1sc(N2CCN(c3ccccc3)CC2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
ALDH1A1 P00352 6/20 0.40
ALOX5 P09917 3/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 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
SCHEMBL347924 0.81 AR (0.58) ARALDH1A1ALOX5SMN1; SMN2NPSR1
SCHEMBL347529 0.77 AR (0.49) ARALDH1A1ALOX5HTTSMN1; SMN2
SCHEMBL348219 0.76 AR (0.48) ARALDH1A1ALOX5HTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4090815 0.72 ALDH1A1 (0.46) ARALDH1A1ALOX5HTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4092194 0.72 AR (0.44) ARALDH1A1ALOX5HTTSMN1; SMN2
SCHEMBL347552 0.71 PTGDR2 (0.62) ARALDH1A1HTTNPSR1KDM4E
SCHEMBL4090820 0.70 AR (0.42) ARALDH1A1ALOX5HTTSMN1; SMN2
SCHEMBL4092197 0.69 AR (0.41) ARALDH1A1ALOX5HTTSMN1; SMN2
SCHEMBL4661535 0.69 NPSR1 (0.46) ALDH1A1HTTTDP1NPSR1MEN1
SCHEMBL347639 0.69 EGFR (0.51) ALDH1A1HTTSMN1; SMN2NPSR1KDM4E

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
EP-1922312-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-05-21 EP disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 WO disclosed