SCHEMBL17644787

SCHEMBL17644787

Cc1nnsc1OC(=O)Nc1ccc(-c2cccc(-c3nn(C)c(=O)o3)c2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 6/20 0.59
▸ TNF P01375 1/20 0.59
▸ STIM1 Q13586 1/20 0.59
▸ ORAI1 Q96D31 1/20 0.59
▸ PSMB8 P28062 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ KDR P35968 6/20 0.32
▸ FLT3 P36888 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ FLT1 P17948 2/20 0.31
▸ RPS6KB1 P23443 2/20 0.31
▸ HIPK4 Q8NE63 2/20 0.31

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
SCHEMBL17644788 0.90 IL2 (0.47) IL2TNFSTIM1ORAI1PSMB8
SCHEMBL15205281 0.84 IL2 (0.67) IL2TNFSTIM1ORAI1LMNA
SCHEMBL17644786 0.84 IL2 (0.47) IL2TNFSTIM1ORAI1PSMB8
SCHEMBL17644782 0.83 IL2 (0.47) IL2TNFSTIM1ORAI1PSMB8
SCHEMBL17644785 0.81 IL2 (0.46) IL2TNFSTIM1ORAI1PSMB8
SCHEMBL15205168 0.74 IL2 (1.00) IL2TNFSTIM1ORAI1MAPT
SCHEMBL2732110 0.74 IL2 (0.54) IL2TNFSTIM1ORAI1LMNA
SCHEMBL17656135 0.73 IL2 (0.66) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL2732589 0.71 IL2 (1.00) IL2TNFSTIM1ORAI1NPC1
SCHEMBL2787427 0.69 STIM1 (0.48) STIM1ORAI1NPC1RAB9AMAPT

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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