SCHEMBL28976097

SCHEMBL28976097

CC(C)(C=C(C#N)C(=O)N1CCNCC1)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 3/20 0.38
BTK Q06187 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL20082945 0.88 NPC1 (0.43) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL19017644 0.85 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL27299791 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL20400198 0.79 BTK (0.38) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL20400199 0.79 BTK (0.38) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL20629916 0.79 ITK (0.37) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL20240590 0.78 BTK (0.41) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL20629865 0.78 MAPT (0.38) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL15710719 0.78 MAPT (0.38) ITKNPC1RAB9AMEN1KMT2A
SCHEMBL19017337 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EGAA

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-110248949-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-02-17 CN disclosed