SCHEMBL9751665

SCHEMBL9751665

O=C1CN(Oc2ccccc2)C(=S)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRK5 P34947 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
MMP3 P08254 2/20 0.33
MMP13 P45452 2/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PIM1 P11309 1/20 0.33
BLM P54132 1/20 0.33
POLB P06746 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
SCHEMBL28610041 0.70
SCHEMBL62942 0.69 KDM4E (0.59) MEN1KMT2AMAPTGAAKDM4E
Benzene SCHEMBL27623238 0.69 KDM4E (0.59) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL14096313 0.69 CTSG (0.45) MAPTGAAKDM4ETDP1MMP3
SCHEMBL8473466 0.66 ALOX12 (0.41) MEN1KMT2AALDH1A1ALOX12NPC1
SCHEMBL10649531 0.66 EPHX2 (0.62) MEN1KMT2AGAADDB1CRBN
SCHEMBL11060522 0.66 GAA (0.39) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL5954446 0.64 ALDH1A1 (0.63) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL123633 0.63 GRK5 (0.56) MEN1KMT2AMAPTGAAKDM4E
SCHEMBL28453752 0.62 LTA4H (0.44) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066785-A CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING CITY OF HOPE (US) 1991-11-19 US disclosed
EP-0407527-A4 CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING 1991-10-30 EP disclosed
EP-0407527-A1 CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING CITY OF HOPE (US) 1991-01-16 EP disclosed
US-4935494-A C-terminal peptide and protein sequencing CITY OF HOPE (US) 1990-06-19 US disclosed
WO-1990005739-A1 CARBOXYL TERMINAL PEPTIDE AND PROTEIN SEQUENCING MILLER CHAD G (US) 1990-05-31 WO disclosed