SCHEMBL10304651

SCHEMBL10304651

CCOC(=O)CCn1ccc2cc(C(=N)N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 6/20 0.62
▸ PLG P00747 4/20 0.62
▸ TNF P01375 7/20 0.51
▸ F2 P00734 1/20 0.43
▸ CREBBP Q92793 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
SCHEMBL14189657 0.88 TNF (0.48) PLAUPLGTNFCREBBP
SCHEMBL400167 0.86 TNF (0.47) PLAUPLGTNFCREBBP
SCHEMBL10113676 0.86 TNF (0.47) PLAUPLGTNFCREBBP
SCHEMBL4473320 0.81 TNF (0.53) TNFCREBBP
SCHEMBL20553630 0.80 TNF (0.52) TNFCREBBP
SCHEMBL20668088 0.78 TUBB1 (0.72) TNF
SCHEMBL403709 0.77 TNF (0.49) TNFCREBBP
SCHEMBL9324289 0.77 LMNA (0.61) TNFCREBBP
SCHEMBL19125573 0.76 TUBB1 (0.58) TNF
SCHEMBL7417377 0.76 MAPT (0.49) TNFCREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 — — EP disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 — — EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 — — EP disclosed
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