SCHEMBL1964783

SCHEMBL1964783

CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cc(C)c(OCC(O)CO)c(C)c2)s1.COc1c(C)cc(-c2nnc(N(CCc3ccccc3)C(=O)c3ccccc3F)s2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.62
S1PR3 Q99500 8/20 0.54
S1PR4 O95977 1/20 0.49
S1PR5 Q9H228 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
UBE2N P61088 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL1964781 1.00 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1966023 0.92 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1966028 0.92 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1967867 0.92 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1964939 0.88 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1964333 0.87 S1PR1 (0.65) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1966270 0.86 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1967974 0.85 S1PR1 (0.64) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL2296944 0.85 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5KDM4E
SCHEMBL1964557 0.83 S1PR1 (0.60) S1PR1S1PR3S1PR4S1PR5KDM4E

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