SCHEMBL10404091

SCHEMBL10404091

CCN1CCN(C(=O)NC([C]=S)c2ccccc2)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL10404500 0.89 MAPT (0.38) POLBMAPTGAAL3MBTL1HDAC1
SCHEMBL8626971 0.89 POLB (0.38) ALDH1A1POLBMAPTCTSSNPC1
SCHEMBL10404262 0.84 POLB (0.35) ALDH1A1POLBMAPTGAAMEN1
SCHEMBL10265114 0.83 ALDH1A1 (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL16808292 0.83 ALDH1A1 (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL24457797 0.83 POLB (0.40) ALDH1A1POLBMAPTNPC1GAA
SCHEMBL7828421 0.81 ATM (0.42) POLBMAPTMEN1KMT2A
SCHEMBL8597022 0.81 ATM (0.42) POLBMAPTMEN1KMT2A
SCHEMBL10404092 0.81 ALDH1A1 (0.37) ALDH1A1POLBMAPTNPC1GAA
SCHEMBL10205157 0.81 KMT2A (0.49) ALDH1A1POLBMAPTNPC1KMT2A

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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