SCHEMBL1968031

SCHEMBL1968031

CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(OCCOC)c(C)c2)s1.COCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(OC)c(C)c2)s1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.61
S1PR3 Q99500 3/20 0.53
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
UBE2N P61088 1/20 0.49
LMNA P02545 1/20 0.47
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1966814 0.96 S1PR1 (0.63) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1968240 0.92 S1PR1 (0.67) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1964698 0.91 S1PR1 (0.73) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1965962 0.89 S1PR1 (0.68) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1964091 0.87 S1PR1 (0.66) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1489021 0.86 S1PR1 (0.61) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1489125 0.85 S1PR1 (0.60) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1970415 0.85 S1PR1 (0.60) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1488988 0.85 S1PR1 (0.59) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1488870 0.85 S1PR1 (0.63) S1PR1S1PR3ALDH1A1KDM4ESMN1; SMN2

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-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed