SCHEMBL18640752

SCHEMBL18640752

CCOC(=O)c1cccnc1NC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
TP53 P04637 1/20 0.59
RAB9A P51151 6/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPC1 O15118 5/20 0.56
GAA P10253 1/20 0.56
PPIA P62937 1/20 0.55
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
TSHR P16473 1/20 0.51
PDE4B Q07343 1/20 0.51
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL18640732 0.86 HTT (0.76) HTTRAB9AALDH1A1HPGDL3MBTL1
SCHEMBL27345451 0.83 HTT (0.71) HTTTP53RAB9AALDH1A1L3MBTL1
SCHEMBL9502644 0.83 HTT (0.71) HTTTP53RAB9AALDH1A1L3MBTL1
SCHEMBL30772996 0.83 HTT (0.71) HTTTP53RAB9AALDH1A1L3MBTL1
SCHEMBL16675446 0.82 HTT (0.69) HTTRAB9AALDH1A1HPGDL3MBTL1
SCHEMBL23566366 0.82 HTT (0.69) HTTRAB9AALDH1A1HPGDL3MBTL1
SCHEMBL18640787 0.82 HTT (0.69) HTTRAB9AALDH1A1HPGDL3MBTL1
SCHEMBL11833609 0.81 HTT (0.68) HTTRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL28000002 0.80 HTT (0.67) HTTTP53RAB9AALDH1A1L3MBTL1
SCHEMBL3820618 0.80 HTT (0.66) HTTRAB9AALDH1A1HPGDL3MBTL1

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-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
EP-3362436-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS Universiteit Antwerpen (BE) 2018-08-22 EP disclosed
WO-2017046133-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2017-03-23 WO disclosed