SCHEMBL6823713

SCHEMBL6823713

C[CH]C1=C(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)N(C(=O)NCC)C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.34
EPHX1 P07099 1/20 0.33
TP53 P04637 1/20 0.33
PHGDH O43175 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1E P28566 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
SCHEMBL5963572 0.69 LMNA (0.39) LMNATHRBPOLBMAPTALDH1A1
SCHEMBL5963903 0.67 LMNA (0.40) LMNATHRBMAPTALDH1A1CYP2C19
SCHEMBL3955088 0.58 MAPT (0.62) LMNATHRBPOLBMAPTALDH1A1
SCHEMBL23407869 0.58 POLB (0.51) LMNAPOLBMAPTALDH1A1EPHX1
SCHEMBL10753297 0.57 MAPT (0.65) LMNAPOLBMAPTALDH1A1KDM4E
SCHEMBL20898621 0.57 NPSR1 (0.57) LMNAPOLBMAPTALDH1A1CYP2C19
SCHEMBL10804640 0.56 POLB (0.74) LMNAPOLBMAPTALDH1A1HTT
SCHEMBL8278996 0.56 ALDH1A1 (0.62) LMNATHRBPOLBMAPTALDH1A1
Diethylamine SCHEMBL10531982 0.56 ALDH1A1 (0.57) POLBMAPTALDH1A1GAAKDM4E
SCHEMBL11334025 0.55 POLB (0.55) LMNAPOLBMAPTALDH1A1KDM4E

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
EP-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed