SCHEMBL9178993

SCHEMBL9178993

O=C(NCC1CC1)Nc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.84
RAB9A P51151 2/20 0.71
NPC1 O15118 1/20 0.71
POLB P06746 1/20 0.68
ALDH1A1 P00352 4/20 0.68
BRD4 O60885 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KDM4E B2RXH2 2/20 0.67
EPHX2 P34913 4/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
CDK9 P50750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL8600776 0.92 EPHX1 (0.73) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL8600781 0.92 EPHX1 (0.73) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL23431981 0.92 EPHX1 (1.00) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL23432014 0.92 EPHX1 (1.00) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL12196136 0.92 EPHX1 (1.00) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL3894602 0.86 EPHX1 (0.65) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL3894606 0.86 EPHX1 (0.65) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL347864 0.85 NPC1 (0.69) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL1871093 0.84 NPC1 (0.73) EPHX1RAB9ANPC1POLBALDH1A1
SCHEMBL19932335 0.83 NPC1 (0.71) EPHX1RAB9ANPC1POLBALDH1A1

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