SCHEMBL28100429

SCHEMBL28100429

Cc1cn(CC2CCCCC2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CNR1 P21554 3/20 0.34
CYP19A1 P11511 1/20 0.34
CNR2 P34972 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 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
SCHEMBL16832545 0.71 HTT (0.49) ALDH1A1TDP1
SCHEMBL23389491 0.71 ALDH1A1 (0.60) CYP11B2ALDH1A1
SCHEMBL17458967 0.70 LMNA (0.44) AR
SCHEMBL28100589 0.68 MAPT (0.46) ALDH1A1TDP1
SCHEMBL7835823 0.67 ALDH1A1 (0.53) ALDH1A1
SCHEMBL28100422 0.67 ALDH1A1 (0.47) ALDH1A1
SCHEMBL17458874 0.67 RAB9A (0.39) ARALDH1A1
SCHEMBL21523624 0.66 L3MBTL1 (0.54) ALDH1A1
SCHEMBL28100418 0.66 ALDH1A1 (0.53) CYP11B2ALDH1A1TDP1
SCHEMBL28834566 0.64 LMNA (0.52) CYP11B2ALDH1A1TDP1

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
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed