SCHEMBL17009339

SCHEMBL17009339

NS(=O)(=O)CCCCc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL6323258 0.95 TAAR1 (0.57) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4067422 0.87 TAAR1 (0.55) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4060879 0.85 TAAR1 (0.53) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2886363 0.82 TAAR1 (0.50) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2885625 0.81 TAAR1 (0.48) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2886309 0.81 TAAR1 (0.48) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2888284 0.81 TAAR1 (0.48) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2886603 0.81 TAAR1 (0.48) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2883324 0.81 TAAR1 (0.48) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2886419 0.81 TAAR1 (0.48) TAAR1TSHRALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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