SCHEMBL10529651

SCHEMBL10529651

O=C(O)CCC(=O)Nc1cccc(-n2nnnc2S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8577482 0.88 PKM (0.40) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL9769965 0.88 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAMAPTRAB9A
SCHEMBL14032668 0.86 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL14498628 0.86 SMN1; SMN2 (0.49) MEN1KMT2AL3MBTL1CYP1A2ALDH1A1
SCHEMBL14498626 0.85 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1CYP1A2ALDH1A1
SCHEMBL5154079 0.85 LMNA (0.47) L3MBTL1ALDH1A1LMNAMAPTRAB9A
SCHEMBL10530632 0.85 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL11108933 0.85 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL8172135 0.85 ALDH1A1 (0.43) L3MBTL1ALDH1A1LMNAMAPTRAB9A
SCHEMBL6751625 0.85 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1LMNA

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
US-4820608-A PHOSPHONIUM MORDANTING AGENT, POLYMER WITH FREE ACID GROUPS, HETEROCYCLIC SILVER COMPLEXING AGENTS AGFA-GEVAERT, N.V. (BE) 1989-04-11 — — US disclosed
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