SCHEMBL27993012

SCHEMBL27993012

CCC1CC(Br)CCN1C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4872004 0.90 POLB (0.37) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL22287170 0.81
SCHEMBL11155986 0.79 NEK2 (0.36) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL605432 0.79 TACR1 (0.37) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL4042224 0.76 NPC1 (0.33) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL4863166 0.74 POLB (0.38) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL3607904 0.73 L3MBTL1 (0.48) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL2073337 0.73 L3MBTL1 (0.48) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL3348343 0.73 L3MBTL1 (0.48) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL1198628 0.72 NPC1 (0.52) NPC1RAB9AMEN1KMT2AHPGD

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
CN-104193728-A Influenza virus inhibitor and application thereof UNIV PEKING SHENZHEN GRAD SCHO 2014-12-10 CN disclosed