SCHEMBL17644786

SCHEMBL17644786

Cc1nnsc1OC(=O)Nc1ccc(-c2cc(-c3nn(C)c(=O)o3)ccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 6/20 0.47
▸ TNF P01375 1/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ NOTUM Q6P988 2/20 0.39
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ AGPAT2 O15120 9/20 0.35
▸ PSMB8 P28062 1/20 0.33

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
SCHEMBL17644782 0.89 IL2 (0.47) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL17644785 0.86 IL2 (0.46) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL15205186 0.85 IL2 (0.54) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL17644787 0.84 IL2 (0.59) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL17644788 0.81 IL2 (0.47) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL2783731 0.77 IL2 (0.50) IL2MAPTSMN1; SMN2NPSR1AGPAT2
SCHEMBL15205055 0.74 IL2 (0.53) IL2TNFSTIM1ORAI1
SCHEMBL2733477 0.73 IL2 (0.81) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL2733507 0.72 IL2 (0.51) IL2TNFSTIM1ORAI1
SCHEMBL14562874 0.71 PORCN (0.39) IL2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632906-B1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2016-04-06 — — EP claimed
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