SCHEMBL21996589

SCHEMBL21996589

CC(C)Nc1nc(Cl)nc(Cl)c1CCOS(C)(=O)=O.CS(=O)(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.35
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29840027 0.99 GLP1R (0.36) GLP1RGAATDP1KDM4EUSP2
SCHEMBL12480931 0.82 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL21996632 0.75 GAA (0.40) GAATDP1
SCHEMBL21996592 0.68 HTR6 (0.41) GAATDP1KDM4EALDH1A1LMNA
SCHEMBL2797476 0.65 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28647325 0.65 GAA (0.33) GLP1RGAATDP1
SCHEMBL12482112 0.64
SCHEMBL15333917 0.64
SCHEMBL12481402 0.64
SCHEMBL4946961 0.64 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9

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
EP-3887364-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity Inc. (US) 2021-10-06 EP disclosed
WO-2020113178-A1 AROMATIC COMPOUNDS FOR USE IN ACTIVATING HEMATOPOIETIC STEM AND PROGENITOR CELLS Celularity, Inc. (US) 2020-06-04 WO disclosed