SCHEMBL1979878

SCHEMBL1979878

CCCCN(Cc1ccccc1F)c1nnc(-c2cc(C)c(OCCN(C)CC(=O)O)c(C)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.49
SLC6A9 P48067 6/20 0.40
S1PR3 Q99500 4/20 0.40
LMNA P02545 1/20 0.38
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1980482 0.86 S1PR1 (0.52) S1PR1S1PR3LMNAS1PR4S1PR5
SCHEMBL1489190 0.84 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1981126 0.84 S1PR1 (0.50) S1PR1S1PR3LMNAS1PR4S1PR5
SCHEMBL2231440 0.83 S1PR1 (0.46) S1PR1S1PR3LMNAS1PR4S1PR5
SCHEMBL1979556 0.83 S1PR1 (0.50) S1PR1S1PR3LMNAS1PR4S1PR5
SCHEMBL2230853 0.82 S1PR1 (0.49) S1PR1S1PR3LMNAS1PR4S1PR5
SCHEMBL1980782 0.82 S1PR1 (0.51) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1980001 0.81 S1PR1 (0.44) S1PR1S1PR3LMNAS1PR4S1PR5
SCHEMBL1488912 0.80 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1490248 0.80 S1PR1 (0.57) S1PR1SLC6A9S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343287-A1 New 2-aminothiadiazole derivatives Almirall, S.A. (ES) 2011-07-13 EP claimed
EP-2343287-A1 New 2-aminothiadiazole derivatives Almirall, S.A. (ES) 2011-07-13 EP disclosed
EP-2343287-A1 New 2-aminothiadiazole derivatives Almirall, S.A. (ES) 2011-07-13 EP disclosed
WO-2011069647-A1 NEW 2-AMINOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-06-16 WO disclosed
WO-2011069647-A1 NEW 2-AMINOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-06-16 WO disclosed