SCHEMBL21067808

SCHEMBL21067808

CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 1.00
HPGD P15428 3/20 0.71
HSD17B10 Q99714 3/20 0.71
MAPK1 P28482 2/20 0.71
TDP1 Q9NUW8 1/20 0.71
MEN1 O00255 1/20 0.71
LMNA P02545 1/20 0.71
POLB P06746 1/20 0.71
MAPT P10636 1/20 0.71
KMT2A Q03164 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
NPC1 O15118 1/20 0.70
CASP1 P29466 1/20 0.70
CASP7 P55210 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70

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
SCHEMBL23752237 0.85 KIF11 (1.00) KIF11HPGDHSD17B10MEN1POLB
SCHEMBL3918724 0.83 HPGD (1.00) KIF11HPGDHSD17B10MAPK1TDP1
SCHEMBL3914843 0.82 HPGD (0.98) KIF11HPGDHSD17B10MAPK1TDP1
SCHEMBL16210883 0.79 KIF11 (0.98) KIF11HPGDHSD17B10MAPK1TDP1
SCHEMBL4150336 0.78 SMN1; SMN2 (0.71) KIF11HPGDHSD17B10MAPK1TDP1
SCHEMBL12443131 0.77 TP53 (0.80) KIF11HPGDHSD17B10MAPK1MEN1
SCHEMBL14156267 0.69 MEN1 (0.60) KIF11HPGDHSD17B10MAPK1TDP1
SCHEMBL3921416 0.69 MEN1 (1.00) KIF11HPGDHSD17B10MEN1LMNA
SCHEMBL6938391 0.69 USP2 (0.69) KIF11HPGDHSD17B10MEN1LMNA
SCHEMBL3922433 0.68 MEN1 (0.82) KIF11HPGDHSD17B10MAPK1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed