SCHEMBL11433474

SCHEMBL11433474

Cc1cc(NC(=O)C2(C)CC2)ccc1SC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PARP1 P09874 1/20 0.39
BACE1 P56817 1/20 0.38
CETP P11597 4/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KHK P50053 1/20 0.35

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
SCHEMBL11428020 0.85 KCNQ3 (0.39) KMT2AMEN1NPSR1KDM4ERAB9A
SCHEMBL11427970 0.85 NPC1 (0.48) CNR1CNR2PARP1BACE1CETP
SCHEMBL11425888 0.82 MAPT (0.43) BACE1CETPSMN1; SMN2ALDH1A1TSHR
SCHEMBL11428576 0.81 KMT2A (0.47) KMT2AMEN1NPSR1RAB9ANPC1
SCHEMBL11425273 0.81 ALOX15 (0.41) CNR1CNR2PARP1BACE1CETP
SCHEMBL11564648 0.77 CNR1 (0.43) CNR1CNR2PARP1BACE1CETP
SCHEMBL11433400 0.76 KHK (0.39) CNR1CNR2PARP1BACE1CETP
SCHEMBL11435252 0.76 RORC (0.47) CNR1CNR2KDM4ERAB9ANPC1
SCHEMBL15886280 0.76 BACE1 (0.52) CNR1CNR2BACE1KMT2AMEN1
SCHEMBL11426827 0.75 CNR1 (0.47) CNR1CNR2BACE1KMT2AMEN1

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-4184867-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1980-01-22 US disclosed