SCHEMBL17805360

SCHEMBL17805360

C=C(Nc1ccc(-c2cc3c(cc2C)OCC(F)(F)O3)cn1)c1c(F)cncc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 7/20 0.46
▸ ORAI1 Q96D31 7/20 0.46
▸ ABL1 P00519 8/20 0.34
▸ IL2 P60568 3/20 0.34
▸ ORAI2 Q96SN7 1/20 0.33
▸ SCN9A Q15858 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
SCHEMBL16572602 0.89 STIM1 (0.46) STIM1ORAI1ABL1IL2ORAI2
SCHEMBL16572608 0.89 STIM1 (0.46) STIM1ORAI1ABL1IL2ORAI2
SCHEMBL12156163 0.86 STIM1 (0.42) STIM1ORAI1ABL1IL2
SCHEMBL12155665 0.82 STIM1 (0.44) STIM1ORAI1ABL1
SCHEMBL12155909 0.82 STIM1 (0.44) STIM1ORAI1ABL1
SCHEMBL14239038 0.82 STIM1 (0.66) STIM1ORAI1
SCHEMBL12241621 0.81 IL2 (0.54) STIM1ORAI1ABL1IL2ORAI2
SCHEMBL12241618 0.81 IL2 (0.54) STIM1ORAI1ABL1IL2ORAI2
SCHEMBL14239062 0.80 STIM1 (0.66) STIM1ORAI1ABL1IL2ORAI2
SCHEMBL12241630 0.79 ABL1 (0.47) STIM1ORAI1ABL1

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-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
Send feedback