SCHEMBL9181777

SCHEMBL9181777

O=C1CC(=O)N(c2ccccc2)C(=O)N1CC1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
ENPP2 Q13822 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL17717923 0.82 MEN1 (0.56) HPGDMEN1KMT2AMAPTGAA
SCHEMBL5443739 0.79 HPGD (0.46) HPGDMEN1KMT2AMAPTGAA
SCHEMBL17717965 0.78 MAPT (0.62) HPGDMEN1KMT2AMAPTGAA
SCHEMBL2680328 0.78 MEN1 (0.62) HPGDMEN1KMT2AMAPTGAA
SCHEMBL11550773 0.77 OPRK1 (0.62) HPGDMEN1KMT2AMAPTHTT
SCHEMBL437784 0.77 HPGD (0.59) HPGDMEN1KMT2AMAPTGAA
SCHEMBL4995780 0.76 OPRL1 (0.41) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL8025052 0.76 OPRL1 (0.41) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL11652238 0.76 MEN1 (0.50) HPGDMEN1KMT2AMAPTGAA
SCHEMBL9496590 0.76 MEN1 (0.50) HPGDMEN1KMT2AMAPTGAA

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-0455300-B1 Barbituric acid derivatives having insecticidal activity DUPHAR INT RES (NL) 1995-06-28 EP disclosed
US-5164396-A Control of aphids DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-11-17 US disclosed
EP-0455300-A1 Barbituric acid derivatives having insecticidal activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1991-11-06 EP disclosed