SCHEMBL17009338

SCHEMBL17009338

CCCS(=O)(=O)NCc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NSD2 O96028 1/20 0.45

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
SCHEMBL28820429 0.88 KMT2A (0.58) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL14645898 0.85 KMT2A (0.52) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL5298689 0.79 KMT2A (0.59) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL6122724 0.79 KMT2A (0.52) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL28204592 0.76 LMNA (0.57) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL14380628 0.75 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL5632849 0.75 MEN1 (0.55) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL6122214 0.75 KMT2A (0.55) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL24425811 0.74 LMNA (0.46) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL5343785 0.73 ALDH1A1 (0.66) KMT2AMEN1LMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 CN disclosed
EP-3104867-B1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 Hills Pharma LLC (US) 2022-01-19 EP disclosed
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 EP disclosed
EP-3104867-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS INTERESTS, LLC (US) 2016-12-21 EP disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 WO disclosed
WO-2015123447-A1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 HILLS PHARMA, LLC (US) 2015-08-20 WO disclosed