SCHEMBL25826800

SCHEMBL25826800

CNCCOCc1nn(C)c(C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL24192213 0.75 HTT (0.33)
SCHEMBL22436830 0.74 MEN1 (0.32) MEN1KMT2A
SCHEMBL25826841 0.72 SMN1; SMN2 (0.31) RAB9ANPC1MEN1KMT2A
SCHEMBL25426461 0.72 SMN1; SMN2 (0.36) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL21835474 0.71 SMN1; SMN2 (0.38) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL22436843 0.69 MEN1 (0.33) MEN1KMT2A
SCHEMBL22436865 0.68 GAA (0.32) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL19469241 0.68 IDO1 (0.39) RAB9ANPC1MEN1KMT2A
SCHEMBL23786425 0.67 LMNA (0.36)
SCHEMBL23786360 0.67 LMNA (0.32)

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-2023133375-A1 MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-07-13 WO disclosed