SCHEMBL28566752

SCHEMBL28566752

CCC1CC(Oc2ccc(-c3ccc4nccn4c3C)cc2)CCN1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK2 O96017 3/20 0.33
NEK2 P51955 1/20 0.32
EPHX2 P34913 2/20 0.32
HRH3 Q9Y5N1 5/20 0.31
SSTR5 P35346 1/20 0.31
TNK2 Q07912 1/20 0.30
KCNH2 Q12809 1/20 0.30
CHRM2 P08172 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
ACACB O00763 2/20 0.30
FFAR1 O14842 1/20 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
SCHEMBL28560945 0.93 KMT2A (0.32) KMT2ACHEK2NEK2EPHX2HRH3
SCHEMBL28574863 0.91 CHEK2 (0.31) KMT2ACHEK2NEK2EPHX2HRH3
SCHEMBL28559852 0.91 ACACB (0.33) KMT2AACACB
SCHEMBL28566527 0.90 KMT2A (0.34) MAPTKMT2AACACBFFAR1
SCHEMBL28913329 0.88 KMT2A (0.32) KMT2ACHEK2NEK2EPHX2HRH3
SCHEMBL28912534 0.86 KMT2A (0.33) KMT2ANEK2ACACB
SCHEMBL28559226 0.86 ACACB (0.33) KMT2ACHEK2EPHX2HRH3ACACB
SCHEMBL28550607 0.84 ACACB (0.32) KMT2ACHEK2EPHX2HRH3ACACB
SCHEMBL28912545 0.84 ACACB (0.34) KMT2ANEK2EPHX2HRH3ACACB
SCHEMBL28912535 0.84 KMT2A (0.32) KMT2ACHEK2NEK2EPHX2ACACB

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