SCHEMBL1964208

SCHEMBL1964208

CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2cc(C)c(OC)c(C)c2)s1.CCCCN(C(=O)c1ccccc1C(F)(F)F)c1nnc(-c2cc(C)c(OC)c(C)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
UBE2N P61088 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
S1PR3 Q99500 4/20 0.49
S1PR4 O95977 1/20 0.45
S1PR5 Q9H228 1/20 0.45

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
SCHEMBL1964560 0.94 S1PR1 (0.51) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL2297403 0.94 S1PR1 (0.61) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966770 0.89 KDM4E (0.61) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1964561 0.85 KDM4E (0.51) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966161 0.83 S1PR1 (0.68) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966270 0.83 S1PR1 (0.76) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1971713 0.82 S1PR1 (0.71) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1968240 0.81 S1PR1 (0.67) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1964962 0.81 S1PR1 (0.64) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966944 0.80 S1PR1 (0.60) S1PR1KDM4EALDH1A1HPGDUBE2N

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