SCHEMBL11565472

SCHEMBL11565472

Cc1cc(NC(=O)C2(C)CC2)ccc1NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LIMK2 P53671 1/20 0.39
CETP P11597 5/20 0.39
BACE1 P56817 1/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
PARP1 P09874 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11565135 0.85 CETP (0.38) CNR1CNR2CETPBACE1MEN1
SCHEMBL11560516 0.83 LMNA (0.44) CNR1CNR2CETPBACE1LMNA
SCHEMBL11562302 0.82 CNR1 (0.41) CNR1CNR2CETPBACE1P2RX7
SCHEMBL11564648 0.81 CNR1 (0.43) CNR1CNR2CETPBACE1P2RX7
SCHEMBL11440342 0.77 CNR1 (0.42) CNR1CNR2LIMK2CETPBACE1
SCHEMBL15886280 0.77 BACE1 (0.52) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11433255 0.76 ALDH1A1 (0.64) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11440261 0.75 CNR1 (0.48) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11427970 0.74 NPC1 (0.48) CNR1CNR2CETPBACE1P2RX7
SCHEMBL11434797 0.74 CNR1 (0.47) CNR1CNR2BACE1MEN1KMT2A

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-4168153-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-18 US disclosed