SCHEMBL7746359

SCHEMBL7746359

CCCCN1[CH]CC(=O)NC1=S

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CNR1 P21554 2/20 0.37
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7741932 0.84 GAA (0.37) CNR1ALDH1A1L3MBTL1GAAFAAH
SCHEMBL5591613 0.70 MEN1 (0.49) MEN1KMT2ACNR1ALDH1A1L3MBTL1
SCHEMBL7741931 0.69 MEN1 (0.55) MEN1KMT2ACNR1ALDH1A1GAA
SCHEMBL143014 0.68 MEN1 (0.50) MEN1KMT2ACNR1ALDH1A1L3MBTL1
SCHEMBL1980044 0.66 MEN1 (0.43) MEN1KMT2AALDH1A1L3MBTL1MAPT
Acetonitrile SCHEMBL27911264 0.65 MEN1 (0.42) MEN1KMT2ACNR1ALDH1A1L3MBTL1
SCHEMBL30722378 0.63 TDP1 (0.36) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL11383117 0.61 PTGS1 (0.46) ALDH1A1L3MBTL1MAPTGAALMNA
SCHEMBL11477209 0.61 MEN1 (0.49) MEN1KMT2ACNR1ALDH1A1L3MBTL1
SCHEMBL11215633 0.61 MGLL (0.41) ALDH1A1MAPTGAAFAAHHPGD

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-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed