SCHEMBL17644785

SCHEMBL17644785

Cc1nnsc1OC(=O)Nc1ccc(-c2cc(-c3nn(C)c(=O)o3)ccc2OC(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.46
▸ TNF P01375 1/20 0.40
▸ STIM1 Q13586 1/20 0.40
▸ ORAI1 Q96D31 1/20 0.40
▸ F11 P03951 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LCLAT1 Q6UWP7 2/20 0.32
▸ KLK1 P06870 1/20 0.31
▸ PSMB8 P28062 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ LCK P06239 1/20 0.30
▸ RORC P51449 1/20 0.30
▸ CPT2 P23786 1/20 0.30
▸ CPT1A P50416 1/20 0.30
▸ CPT1B Q92523 1/20 0.30

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
SCHEMBL2733507 0.87 IL2 (0.51) IL2TNFSTIM1ORAI1MAPK14
SCHEMBL17644786 0.86 IL2 (0.47) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL17644782 0.85 IL2 (0.47) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL17644787 0.81 IL2 (0.59) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL17644788 0.78 IL2 (0.47) IL2TNFSTIM1ORAI1RAB9A
SCHEMBL15205243 0.77 IL2 (0.74) IL2TNFSTIM1ORAI1LCLAT1
SCHEMBL15205186 0.71 IL2 (0.54) IL2TNFSTIM1ORAI1NOTUM
SCHEMBL2787427 0.71 STIM1 (0.48) STIM1ORAI1RAB9AMAPTSMN1; SMN2
SCHEMBL15205055 0.71 IL2 (0.53) IL2TNFSTIM1ORAI1MAPK14
SCHEMBL2785129 0.69 MAPT (0.41) RAB9AMAPTSMN1; SMN2NPC1

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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