SCHEMBL24716495

SCHEMBL24716495

CC(N)c1cc(Br)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 13/20 0.50
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL6853361 0.85 CA12 (0.44) AAK1
SCHEMBL27407319 0.83 EGLN2 (0.41) AAK1
SCHEMBL30175900 0.81 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL1519234 0.81 AAK1 (0.49) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL29430574 0.80 AAK1 (0.65) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL3565747 0.80 AAK1 (0.65) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL4975833 0.79 AAK1 (0.52) AAK1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL13514632 0.79 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL31167627 0.79 AAK1 (0.52) AAK1NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL20868226 0.78 AAK1 (0.47) AAK1NPC1RECQLRAB9ASMN1; SMN2

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-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed