SCHEMBL12830993

SCHEMBL12830993

Cc1ccc2oc(C(=O)Nc3csc(-c4ccc(Cl)c(Cl)c4)c3C(=O)O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.43
▸ MAPT P10636 6/20 0.43
▸ AGPAT2 O15120 6/20 0.41
▸ POLB P06746 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.39
▸ EIF4E P06730 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ DUSP1 P28562 1/20 0.38

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
SCHEMBL12756309 0.88 RAB9A (0.43) TP53MAPTPOLB
SCHEMBL12756317 0.87 DUSP1 (0.41) TP53RXFP1MAPTPOLBDUSP1
SCHEMBL12831071 0.83 MAPT (0.43) TP53RXFP1MAPTPOLBANO1
SCHEMBL12829835 0.80 MAPT (0.44) TP53MAPTPOLB
SCHEMBL12830013 0.80 RAB9A (0.41) TP53MAPTPOLB
SCHEMBL12830474 0.80 TP53 (0.39) TP53RXFP1MAPTAGPAT2PTGES
SCHEMBL12831073 0.80 ANO1 (0.43) TP53RXFP1MAPTPOLBANO1
SCHEMBL12830945 0.80 TP53 (0.45) TP53RXFP1MAPTPOLBANO1
SCHEMBL12830947 0.80 ANO1 (0.45) TP53MAPTPOLBANO1
SCHEMBL12831077 0.79 KMT2A (0.42) TP53MAPTPOLB

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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
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