SCHEMBL28560945

SCHEMBL28560945

CCCC1CC(Oc2ccc(-c3ccc4nccn4c3C)cc2)CCN1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
CHEK2 O96017 2/20 0.31
NEK2 P51955 1/20 0.31
EPHX2 P34913 2/20 0.31
ACACB O00763 1/20 0.30
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL28566752 0.93 KDM4E (0.33) KMT2ACHEK2NEK2EPHX2ACACB
SCHEMBL28566527 0.92 KMT2A (0.34) KMT2AACACB
SCHEMBL28912535 0.91 KMT2A (0.32) KMT2ACHEK2NEK2EPHX2ACACB
SCHEMBL28574863 0.90 CHEK2 (0.31) KMT2ACHEK2NEK2EPHX2HRH3
SCHEMBL28559852 0.89 ACACB (0.33) KMT2AACACB
SCHEMBL28912534 0.87 KMT2A (0.33) KMT2ANEK2ACACB
SCHEMBL28913329 0.86 KMT2A (0.32) KMT2ACHEK2NEK2EPHX2ACACB
SCHEMBL18322953 0.86 KMT2A (0.31) KMT2ANEK2ACACB
SCHEMBL28559226 0.84 ACACB (0.33) KMT2ACHEK2EPHX2ACACBHRH3
SCHEMBL28550607 0.83 ACACB (0.32) KMT2ACHEK2EPHX2ACACBHRH3

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-107847765-B 1, 4-substituted piperidine derivatives 89生物有限公司 2021-05-04 CN disclosed