SCHEMBL30908855

SCHEMBL30908855

CN(C)C1CCc2oc3ccc(NS(=O)(=O)c4ccccc4)cc3c2C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
TP53 P04637 8/20 0.57
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
HTR6 P50406 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
THRB P10828 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 2/20 0.45
USP2 O75604 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL6960878 1.00 MAPT (0.57) MAPTTP53GAAPOLBHTR6
SCHEMBL30908989 0.91 MAPT (0.57) MAPTTP53GAAPOLBHTR6
SCHEMBL6958342 0.91 MAPT (0.57) MAPTTP53GAAPOLBHTR6
SCHEMBL6953187 0.90 MAPT (0.58) MAPTTP53GAAPOLBHTR6
SCHEMBL6957023 0.89 MAPT (0.55) MAPTTP53GAAPOLBHTR6
SCHEMBL30908784 0.89 MAPT (0.55) MAPTTP53GAAPOLBHTR6
SCHEMBL6949289 0.87 MAPT (0.51) MAPTTP53GAAPOLBHTR6
SCHEMBL30909109 0.87 MAPT (0.51) MAPTTP53GAAPOLBHTR6
SCHEMBL6958103 0.85 MAPT (0.52) MAPTTP53GAAPOLBHTR6
SCHEMBL30909012 0.85 MAPT (0.52) MAPTTP53GAAPOLBHTR6

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