SCHEMBL30909012

SCHEMBL30909012

CCS(=O)(=O)Nc1ccc2oc3c(c2c1)CC(N(C)C)CC3

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
TP53 P04637 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 1/20 0.49
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HTR6 P50406 3/20 0.38
QRFPR Q96P65 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
HTR1F P30939 1/20 0.36
ADRA2A P08913 1/20 0.35

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
SCHEMBL6958103 1.00 MAPT (0.52) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL6949289 0.89 MAPT (0.51) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL30909109 0.89 MAPT (0.51) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL6960878 0.85 MAPT (0.57) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL30908855 0.85 MAPT (0.57) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL30908989 0.84 MAPT (0.57) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL6958342 0.84 MAPT (0.57) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL6953187 0.83 MAPT (0.58) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL30909221 0.81 HTR1F (0.43) MAPTTP53SMN1; SMN2THRBPOLB
SCHEMBL6962292 0.81 HTR1F (0.43) MAPTTP53SMN1; SMN2THRBPOLB

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