SCHEMBL19993152

SCHEMBL19993152

CC(=O)CNc1ccon1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
GAPDH P04406 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
FFAR2 O15552 1/20 0.39

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
SCHEMBL15368000 0.81 ATM (0.43) ATMRAB9ANPC1POLBL3MBTL1
SCHEMBL171892 0.75
SCHEMBL4826043 0.74
SCHEMBL13113182 0.72 RAB9A (0.54) ATMRAB9ANPC1POLBL3MBTL1
SCHEMBL146803 0.71
SCHEMBL146802 0.71
SCHEMBL4109619 0.70 ATM (0.58) ATMRAB9ANPC1POLBL3MBTL1
SCHEMBL5092259 0.69 ESR1 (0.46) ATMRAB9ANPC1POLBL3MBTL1
SCHEMBL19930552 0.69 NUDT1 (0.47) ATMRAB9ANPC1POLBL3MBTL1
SCHEMBL19736599 0.69 ATM (0.39) ATMRAB9ANPC1POLBL3MBTL1

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
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed