SCHEMBL16446231

SCHEMBL16446231

C=CCN(CCC(=O)OCC)c1nc(SC)ncc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SYK P43405 2/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ FOS P01100 1/20 0.41
▸ JUN P05412 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9955978 0.83 MEN1 (0.51) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL3532279 0.82 ALDH1A1 (0.56) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL16446548 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL11020556 0.80 ALDH1A1 (0.55) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL11015988 0.79 ALDH1A1 (0.47) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL11021116 0.78 HTT (0.48) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL3531655 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL3291033 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL4260559 0.74 MEN1 (0.56) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL11163446 0.74 ALDH1A1 (0.69) RAB9AMEN1KMT2AALDH1A1TDP1

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-2015019037-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2015-02-12 — — WO disclosed
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