SCHEMBL11268608

SCHEMBL11268608

CNC(=O)C(=NO)C(C)(C)n1cnc([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL11268596 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2POLBMAPTCYP2C9
SCHEMBL11255041 0.80
SCHEMBL11256536 0.79
SCHEMBL11264140 0.79
SCHEMBL11264167 0.79
SCHEMBL11256528 0.79
SCHEMBL11261866 0.77
SCHEMBL11253628 0.76
SCHEMBL11262199 0.76 AR (0.31)
SCHEMBL11263915 0.75

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-4353915-A ARTHROPODICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-10-12 US disclosed