SCHEMBL28566527

SCHEMBL28566527

COCCC1CC(Oc2ccc(-c3ccc4nccn4c3C)cc2)CCN1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 3/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACACB O00763 2/20 0.31
FFAR1 O14842 1/20 0.31
CHRM3 P20309 1/20 0.31

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 0.92 KMT2A (0.32) KMT2AACACB
SCHEMBL28566752 0.90 KDM4E (0.33) KMT2AMAPTACACBFFAR1
SCHEMBL28574863 0.88 CHEK2 (0.31) KMT2A
SCHEMBL28559852 0.88 ACACB (0.33) KMT2APOLBACACB
SCHEMBL28912534 0.84 KMT2A (0.33) KMT2AACACB
SCHEMBL28913329 0.83 KMT2A (0.32) KMT2APOLBACACB
SCHEMBL28559226 0.83 ACACB (0.33) KMT2AACACB
SCHEMBL28912535 0.83 KMT2A (0.32) KMT2AACACB
SCHEMBL28550607 0.82 ACACB (0.32) KMT2AACACB
SCHEMBL18322953 0.81 KMT2A (0.31) KMT2AACACB

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