SCHEMBL1898226

SCHEMBL1898226

COC1CCCC(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)C1.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1Cc2cc(Cl)ccc2O1.O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1Cc2ccccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ ANO1 Q5XXA6 9/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TNF P01375 1/20 0.38
▸ PRNP P04156 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL1954085 0.84 ANO1 (0.53) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1954914 0.82 CASP3 (0.62) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1950495 0.81 MEN1 (0.49) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1950210 0.80 ANO1 (0.55) ANO1
SCHEMBL12271221 0.77 MEN1 (0.56) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1896408 0.76 ANO1 (0.50) ANO1
SCHEMBL12271719 0.75 ANO1 (0.57) ANO1MEN1KMT2A
SCHEMBL1952393 0.72 ADORA2A (0.49) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1896409 0.71 GLS (0.42) CASP3SENP8SENP7SENP6ANO1
SCHEMBL1954473 0.71 MEN1 (0.55) CASP3SENP8SENP7SENP6ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321303-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2011-05-18 — — EP disclosed
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 — — WO disclosed
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