SCHEMBL11872011

SCHEMBL11872011

CN(C(=O)Cl)c1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.65
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
GAA P10253 1/20 0.41
CNR2 P34972 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
MCL1 Q07820 1/20 0.40

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
SCHEMBL29666490 0.83 SIGMAR1 (0.67) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL3626830 0.83 SIGMAR1 (0.67) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL1614544 0.83 SIGMAR1 (0.67) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL8150820 0.81 SIGMAR1 (0.65) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL1839015 0.81 SIGMAR1 (0.65) SIGMAR1GAANCEH1
SCHEMBL10943508 0.81 SIGMAR1 (0.65) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL28259034 0.81 SIGMAR1 (0.65) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL27431595 0.81 SIGMAR1 (0.59) SIGMAR1LMNA
SCHEMBL11158047 0.79 SIGMAR1 (0.47) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL2090835 0.79 SIGMAR1 (0.61) SIGMAR1GAALMNANCEH1

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
US-3986973-A CYANOFORMATES AND CYANOFORMAMIDES AS BLEACH ACTIVATORS AMERICAN CYANAMID COMPANY (US) 1976-10-19 US disclosed