SCHEMBL14036617

SCHEMBL14036617

CNCc1cc(C(C)C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TRPA1 O75762 1/20 0.47
PTGS1 P23219 1/20 0.47
CACNA1C Q13936 1/20 0.47
ACHE P22303 9/20 0.46
BCHE P06276 6/20 0.46
SLC6A4 P31645 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL10240603 0.81 LMNA (0.46) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL11449732 0.78 LMNA (0.54) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL10145748 0.78 LMNA (0.42) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL12535558 0.76 LMNA (0.52) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL9685093 0.76 PTGS1 (0.55) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL14036619 0.76 LMNA (0.52) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL14227856 0.76 LMNA (0.52) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL1762784 0.76 LMNA (0.52) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL20353850 0.76 LMNA (0.47) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL13948898 0.75 TAAR1 (0.52) SLC6A4SLC6A2KCNH2HTR2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed