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SCHEMBL1965848

SCHEMBL1965848

CCCCN(C(=O)c1cccc(F)n1)c1nnc(-c2cc(C)c(OC)c(C)c2)s1.CCCCN(C(=O)c1ccccn1)c1nnc(-c2cc(C)c(OC)c(C)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ UBE2N P61088 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ S1PR3 Q99500 1/20 0.43

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
SCHEMBL1966359 0.94 KDM4E (0.55) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1969999 0.93 HSD17B10 (0.56) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL3628027 0.85 S1PR1 (0.61) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966270 0.81 S1PR1 (0.76) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1964962 0.80 S1PR1 (0.64) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966944 0.80 S1PR1 (0.60) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966747 0.80 S1PR1 (0.69) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1966161 0.79 S1PR1 (0.68) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1970812 0.78 S1PR1 (0.60) S1PR1KDM4EALDH1A1HPGDUBE2N
SCHEMBL1971713 0.78 S1PR1 (0.71) 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