SCHEMBL30909113

SCHEMBL30909113

C1=CCN2CCCCC2CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.36
L3MBTL1 Q9Y468 7/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR6 P50406 1/20 0.36
MBTD1 Q05BQ5 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC18A3 Q16572 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53BP1 Q12888 1/20 0.32
L3MBTL4 Q8NA19 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
SCHEMBL22072994 0.86 KDM4E (0.35) L3MBTL3L3MBTL1KDM4ETDP1HTR6
SCHEMBL22073010 0.84 KDM4E (0.37) KDM4ETDP1MEN1KMT2ASLC18A3
SCHEMBL8901941 0.84
SCHEMBL22073002 0.82 KDM4E (0.32) L3MBTL3L3MBTL1KDM4ETDP1SLC18A3
SCHEMBL19312856 0.81 L3MBTL3 (0.46) L3MBTL3L3MBTL1KDM4ETDP1MBTD1
SCHEMBL17100712 0.80 L3MBTL3 (0.38) L3MBTL3L3MBTL1HTR6MBTD1MEN1
SCHEMBL12070058 0.80 HTR6 (0.38) L3MBTL3L3MBTL1KDM4ETDP1HTR6
SCHEMBL22639458 0.80 L3MBTL3 (0.42) L3MBTL3L3MBTL1KDM4ETDP1HTR6
Hydrochloric Acid SCHEMBL27218548 0.78 L3MBTL3 (0.41) L3MBTL3L3MBTL1KDM4ETDP1HTR6
Hydrochloric Acid SCHEMBL27218545 0.78 L3MBTL3 (0.41) L3MBTL3L3MBTL1KDM4ETDP1HTR6

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-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed