SCHEMBL23100892

SCHEMBL23100892

COCCOCCOCCOCCOCCOCCOCCOCCOCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL13909710 1.00 RAB9A (0.55) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL1786727 0.98 TDP1 (0.54) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL12608325 0.98 TDP1 (0.54) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL29908236 0.92 RAB9A (0.60) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13256446 0.92 RAB9A (0.60) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL10337042 0.92 MAPT (0.64) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL19344706 0.90 MAOB (0.50) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL3091241 0.90 RAB9A (0.58) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL30536704 0.90 RAB9A (0.58) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL25396585 0.90 RAB9A (0.58) RAB9AMAPTSMN1; SMN2TDP1L3MBTL1

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-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed