SCHEMBL1979890

SCHEMBL1979890

CCCCN(Cc1ccccc1F)c1nnc(-c2cc(Cl)nc(OC)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.44
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
UBE2N P61088 1/20 0.36
S1PR3 Q99500 4/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CPB1 P15086 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 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
SCHEMBL1979486 0.85 S1PR1 (0.43) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1981126 0.83 S1PR1 (0.50) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1965394 0.80 S1PR1 (0.63) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2230853 0.79 S1PR1 (0.49) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1981614 0.76 S1PR1 (0.45) S1PR1KDM4ES1PR3S1PR4S1PR5
SCHEMBL1981001 0.76 S1PR1 (0.46) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1979528 0.76 S1PR1 (0.44) S1PR1KDM4ES1PR3S1PR4S1PR5
SCHEMBL2231440 0.75 S1PR1 (0.46) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1980001 0.75 S1PR1 (0.44) S1PR1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12522034 0.74 S1PR1 (0.53) S1PR1S1PR3S1PR4S1PR5LMNA

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 6 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
WO-2011069647-A1 NEW 2-AMINOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-06-16 WO 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