SCHEMBL28100422

SCHEMBL28100422

Cc1cn(Cc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SOS1 Q07889 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
KCNH2 Q12809 1/20 0.39
TRPC5 Q9UL62 1/20 0.39

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
SCHEMBL28100589 0.89 MAPT (0.46) ALDH1A1LMNASMN1; SMN2MAPTSOS1
SCHEMBL28834566 0.78 LMNA (0.52) ALDH1A1LMNASMN1; SMN2MAPTNPSR1
SCHEMBL28100418 0.77 ALDH1A1 (0.53) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL23363999 0.74 PDE4A (0.53) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL30791400 0.74 PDE4A (0.53) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL16832763 0.73 LMNA (0.66) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL1761213 0.73 ALDH1A1 (0.45) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL13186671 0.71 MEN1 (0.80) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL9917428 0.68 HDAC3 (0.42) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL1578345 0.67 MAOB (0.49) LMNASMN1; SMN2NPSR1

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