SCHEMBL7475776

SCHEMBL7475776

CCCCN(NC(=S)NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MITF O75030 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ACHE P22303 1/20 0.46
PKM P14618 1/20 0.45
CCR6 P51684 1/20 0.45

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
SCHEMBL7474738 0.96 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL7063202 0.79 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL22506569 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL9618235 0.76 HDAC1 (0.56) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL11581830 0.74 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2GAAMITFALOX12
SCHEMBL5447985 0.73 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GAALMNAHTT
SCHEMBL16587380 0.73 NAAA (0.72) ALDH1A1SMN1; SMN2GAAHTTL3MBTL1
SCHEMBL21894756 0.73 NAAA (0.72) ALDH1A1SMN1; SMN2GAAHTTL3MBTL1
SCHEMBL16587391 0.73 NAAA (0.72) ALDH1A1SMN1; SMN2GAAHTTL3MBTL1
SCHEMBL12153832 0.73 HSP90AA1 (0.59) ALDH1A1SMN1; SMN2GAALMNAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 WO disclosed