SCHEMBL21361595

SCHEMBL21361595

IN1CCC(c2nc3ccccc3o2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.61
HTR2B P41595 1/20 0.56
THRB P10828 2/20 0.53
USP2 O75604 1/20 0.53
EPHX1 P07099 1/20 0.51
EPHX2 P34913 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN5A Q14524 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL26862272 0.85 LMNA (0.60) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL13810503 0.84 LMNA (0.61) LMNAHTR2BTHRBUSP2TP53
SCHEMBL14895871 0.82 LMNA (0.57) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL4457699 0.82 RAB9A (0.59) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL21361620 0.81 LMNA (0.57) LMNAHTR2BTHRBUSP2TP53
SCHEMBL1128181 0.80 RAB9A (0.62) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL5014849 0.80 LMNA (0.70) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL3120801 0.79 LMNA (0.55) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL5014847 0.79 LMNA (0.73) LMNAHTR2BTHRBUSP2EPHX1
SCHEMBL27969428 0.79 BCHE (0.59) LMNAHTR2BUSP2

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-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed