SCHEMBL7093358

SCHEMBL7093358

N#CC(c1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.46
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.34
DPP4 P27487 2/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL7095932 0.89 ALDH1A1 (0.46) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL7090779 0.86 ESR1 (0.48) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL7095374 0.82 IDO1 (0.42) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL3447644 0.77 TRPA1 (0.46) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL1275688 0.77 TRPA1 (0.46) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL11321260 0.77 LMNA (0.47) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL29180071 0.76 TSHR (0.44) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL2565087 0.73 TSHR (0.41) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL16793850 0.70 LMNA (0.49) LMNATSHRTRPA1ALDH1A1POLB
SCHEMBL12138866 0.70 MAOB (0.53) LMNATSHRTRPA1ALDH1A1POLB

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
WO-2003082777-A2 NOVEL GLUCOCORTICOID RECEPTOR LIGANDS KARO BIO AB (SE) 2003-10-09 WO disclosed