SCHEMBL11235356

SCHEMBL11235356

CC(Cn1ccnc1)=NO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP19A1 P11511 4/20 0.46
ESR1 P03372 3/20 0.46
TBXAS1 P24557 2/20 0.42
EGLN3 Q9H6Z9 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLAA Q9Y263 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11235352 1.00 ALDH1A1 (0.52) ALDH1A1CYP19A1ESR1TBXAS1EGLN3
SCHEMBL4682316 0.79
SCHEMBL11234254 0.76 ALDH1A1 (0.47) ALDH1A1CYP19A1ESR1TBXAS1EGLN3
SCHEMBL11569209 0.76 ALDH1A1 (0.47) ALDH1A1CYP19A1ESR1TBXAS1ESR2
SCHEMBL11569211 0.76 ALDH1A1 (0.47) ALDH1A1CYP19A1ESR1TBXAS1ESR2
SCHEMBL11234253 0.76 ALDH1A1 (0.47) ALDH1A1CYP19A1ESR1TBXAS1EGLN3
SCHEMBL412255 0.75
SCHEMBL5542324 0.75
SCHEMBL11245034 0.71 ALDH1A1 (0.42) ALDH1A1CYP19A1ESR1TBXAS1ESR2
SCHEMBL11245031 0.71 ALDH1A1 (0.42) ALDH1A1CYP19A1ESR1TBXAS1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359469-A Combating pests with N-sulphenylated oxime-carbamates BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0005780-A1 N,N'-asymmetrically substituted thio-bis-amines, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-12-12 EP disclosed