SCHEMBL4733930

SCHEMBL4733930

CCOC(=O)[C@@H](N)Cc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD2 P14416 3/20 0.45
HTR2A P28223 2/20 0.45
HTR7 P34969 2/20 0.45
F2RL3 Q96RI0 1/20 0.45
PLK1 P53350 1/20 0.43

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
SCHEMBL15445918 0.82 HTR6 (0.63) HTR6CA12CA1CA2CA9
SCHEMBL3644542 0.75 HTR6 (1.00) HTR6CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL27782844 0.74 SRR (0.54)
Acetic Acid SCHEMBL27782836 0.74 SRR (0.51)
SCHEMBL1651879 0.73 HTR6 (0.74) HTR6CA12CA1CA2CA9
Sulfuric Acid SCHEMBL28299133 0.73 ALPI (0.51) SLC1A3SLC1A2SLC1A1MEN1KMT2A
Sulfuric Acid SCHEMBL10864212 0.72 ALPI (0.54) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL132409 0.72 ALPI (0.61) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL616963 0.72 ALPI (0.61) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL132790 0.72 ALPI (0.61) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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-2008064823-A1 BICYCLIC AND HETEROBICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA, S.A. (BE) 2008-06-05 WO disclosed