SCHEMBL2785271

SCHEMBL2785271

O=C(Nc1ccc(-c2cc(Cl)ccc2OC(F)F)cc1)Oc1ccncc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 5/20 0.50
▸ STIM1 Q13586 1/20 0.45
▸ ORAI1 Q96D31 1/20 0.45
▸ KLKB1 P03952 2/20 0.44
▸ LCLAT1 Q6UWP7 1/20 0.40
▸ JAK2 O60674 6/20 0.40
▸ JAK1 P23458 6/20 0.40
▸ TYK2 P29597 4/20 0.40
▸ JAK3 P52333 4/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL2784233 0.88 ORAI1 (0.58) STIM1ORAI1LCLAT1KMT2APOLB
SCHEMBL1828476 0.85 STIM1 (0.63) F11STIM1ORAI1LCLAT1JAK2
SCHEMBL2785071 0.78 ORAI1 (0.73) STIM1ORAI1MAPTPOLBMAPK1
SCHEMBL2785788 0.76 KCNMA1 (0.51) STIM1ORAI1KMT2APOLBMEN1
SCHEMBL2785487 0.74 HTR2A (0.43) LMNAKCNMA1RAB9A
SCHEMBL2784884 0.73 IL2 (0.42) STIM1ORAI1JAK2JAK3GSK3A
SCHEMBL1823693 0.72 ORAI1 (0.81) STIM1ORAI1LCLAT1MAPTKMT2A
SCHEMBL1827870 0.68 POLB (0.53) F11ORAI1JAK2JAK1TYK2
SCHEMBL31417771 0.68 FAAH (0.55) MAPTKMT2ALMNAPOLBMEN1
SCHEMBL19106126 0.67 F11 (1.00) F11KLKB1MAPTKMT2ALMNA

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-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 — — EP claimed
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