SCHEMBL11234969

SCHEMBL11234969

CNC(=O)C(C(=NO)n1cnc([N+](=O)[O-])c1C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11238683 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11240770 0.72 KDM4E (0.37) ALDH1A1GAAMAPTSMN1; SMN2CYP2C19
SCHEMBL11240765 0.72 KDM4E (0.37) ALDH1A1GAAMAPTSMN1; SMN2CYP2C19
SCHEMBL11225659 0.71
SCHEMBL11242487 0.69 KDM4E (0.31) ALDH1A1MAPTKDM4E
SCHEMBL11268333 0.69 ALDH1A1 (0.40) ALDH1A1GAAMAPTSMN1; SMN2CYP2C19
SCHEMBL11268322 0.69 ALDH1A1 (0.40) ALDH1A1GAAMAPTSMN1; SMN2CYP2C19
SCHEMBL11248332 0.68 KMT2A (0.32)
SCHEMBL11230869 0.65 RAB9A (0.33) ALDH1A1MAPTSMN1; SMN2
SCHEMBL11233303 0.65 CYP26A1 (0.34)

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 1 patent. 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