SCHEMBL11268333

SCHEMBL11268333

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 2/20 0.32
ATM Q13315 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL11268322 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11262213 0.73 L3MBTL1 (0.33) ALDH1A1
SCHEMBL11268608 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11268596 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11262224 0.73 L3MBTL1 (0.33) ALDH1A1
SCHEMBL11267567 0.73 GAA (0.39) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11267564 0.73 GAA (0.39) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11268325 0.72 TDP1 (0.40) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11240770 0.68 KDM4E (0.37) ALDH1A1SMN1; SMN2GAAMAPTKDM4E
SCHEMBL11240765 0.68 KDM4E (0.37) ALDH1A1SMN1; SMN2GAAMAPTKDM4E

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