SCHEMBL9183604

SCHEMBL9183604

CC(=O)C1C(=O)N(CC2CC2)C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.43
SCN2A Q99250 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.41
ACHE P22303 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
BCL2A1 Q16548 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.38
PDE4B Q07343 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
SCHEMBL9184400 0.82 MT-CO2 (0.42) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL9181710 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL9188796 0.78 CNR1 (0.43) KMT2A
SCHEMBL9184952 0.72 AR (0.42) PDE4BPDE4D
SCHEMBL3422385 0.70 HPN (0.47) HPNSCN2AMEN1KMT2AGAA
SCHEMBL11825117 0.67 HPN (0.41) HPNSCN2AMEN1KMT2AGAA
SCHEMBL11790251 0.66 SCN2A (0.62) HPNSCN2AMEN1KMT2AGAA
SCHEMBL11787449 0.65 SCN2A (0.61) HPNSCN2AMEN1KMT2AGAA
SCHEMBL10854270 0.64 HPN (0.68) HPNSCN2AMEN1KMT2AGAA
SCHEMBL3190715 0.64 HPN (0.55) HPNSCN2AMEN1KMT2AGAA

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