SCHEMBL6238531

SCHEMBL6238531

CSc1sc(C(=N)N)cc1S(=O)(=O)c1c(C(=O)NCCCN2CCOCC2)ccc(C)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
C1S P09871 13/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8363648 0.85 C1S (0.63) C1S
SCHEMBL8363808 0.81 C1S (0.56) C1S
SCHEMBL5840539 0.71 C1S (0.60) C1S
Trifluoroacetic Acid SCHEMBL6209554 0.71 C1S (0.50) C1SALDH1A1TSHRHSD17B10
SCHEMBL5841499 0.71 C1S (0.73) C1S
Trifluoroacetic Acid SCHEMBL5841235 0.71 C1S (0.55) C1S
SCHEMBL8363773 0.68 C1S (0.69) C1S
SCHEMBL6209320 0.68 C1S (0.59) C1S
Trifluoroacetic Acid SCHEMBL5840253 0.67 C1S (0.63) C1S
SCHEMBL2362567 0.67 POLB (0.66) KDM4EMAPTNPSR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed