SCHEMBL18598497

SCHEMBL18598497

O=C(O)C(Cc1ccccc1)N1C(=O)/C(=C/C=C/C2CCCO2)SC1=S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.64
▸ MAPT P10636 10/20 0.61
▸ ALDH1A1 P00352 6/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ POLB P06746 4/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ RECQL P46063 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ PSMD14 O00487 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ MMP2 P08253 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ BCL2 P10415 5/20 0.53
▸ BCL2L2 Q92843 5/20 0.53
▸ BAD Q92934 5/20 0.53
▸ MME P08473 2/20 0.53
▸ PLA2G1B P04054 1/20 0.53

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
SCHEMBL19425333 0.89 MAPT (0.61) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL19425506 0.87 DUSP3 (0.71) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL26458902 0.76 MAPT (1.00) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL14680220 0.76 MAPT (1.00) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL19425501 0.74 DUSP3 (0.72) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL19430434 0.74 MAPT (1.00) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL13894970 0.73 DUSP3 (0.71) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL14680251 0.71 MAPT (0.78) DUSP3MAPTALDH1A1MEN1KMT2A
SCHEMBL13846498 0.70 MAPT (0.87) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4568729 0.69 MAPT (0.80) DUSP3MAPTALDH1A1MEN1KMT2A

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-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 — — EP disclosed
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