SCHEMBL883735

SCHEMBL883735

COC(=O)c1cc2c(cc1F)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 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
SCHEMBL26829548 0.87 ATM (0.46) RAB9ALMNAATMNPC1L3MBTL1
SCHEMBL1810919 0.84 BAZ2B (0.43) RAB9ALMNASMN1; SMN2KMT2AMEN1
SCHEMBL30514527 0.84 KDM4E (0.38) LMNAATML3MBTL1MAPTNFKB1
SCHEMBL24570280 0.84 KDM4E (0.38) LMNAATML3MBTL1MAPTNFKB1
SCHEMBL24362423 0.81 BAZ2B (0.40) RAB9ALMNASMN1; SMN2KMT2AMEN1
SCHEMBL29706757 0.81 MAP3K5 (0.45) LMNAMAPTTP53HTTALDH1A1
SCHEMBL23011990 0.81 MAP3K5 (0.45) LMNAMAPTTP53HTTALDH1A1
SCHEMBL522786 0.80 CA12 (0.47) LMNAATML3MBTL1MAPTNFKB1
SCHEMBL25072882 0.80 GAA (0.46) RAB9ALMNASMN1; SMN2KMT2AMEN1
SCHEMBL30278488 0.80 GAA (0.46) RAB9ALMNASMN1; SMN2KMT2AMEN1

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-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed