SCHEMBL1970415

SCHEMBL1970415

CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(OCC(=O)O)c(C)c2)s1.COc1c(C)cc(-c2nnc(N(CCC(C)C)C(=O)c3ccccc3Cl)s2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.60
S1PR3 Q99500 8/20 0.54
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
UBE2N P61088 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
S1PR4 O95977 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL1964091 0.92 S1PR1 (0.66) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1965511 0.90 S1PR1 (0.58) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1968240 0.89 S1PR1 (0.67) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1968031 0.85 S1PR1 (0.61) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1966814 0.84 S1PR1 (0.63) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1489125 0.83 S1PR1 (0.60) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL12386204 0.82 S1PR1 (0.59) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1488870 0.82 S1PR1 (0.63) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1964380 0.82 S1PR1 (0.58) S1PR1S1PR3KDM4EALDH1A1HPGD
SCHEMBL1489021 0.82 S1PR1 (0.61) S1PR1S1PR3KDM4EALDH1A1HPGD

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 claimed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO claimed