SCHEMBL9718394

SCHEMBL9718394

O=C(O)CCC(=O)c1ccc(CCNS(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.52
SLC16A3 O15427 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
NPY5R Q15761 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
FLT3 P36888 1/20 0.44
FABP4 P15090 3/20 0.44
AKR1C3 P42330 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
SCHEMBL3701345 0.83 NSD2 (0.72) NSD2ALDH1A1SMN1; SMN2SCN1ASCN2A
SCHEMBL9659259 0.82 ALDH1A1 (0.71) ALDH1A1MAPTHSD17B10L3MBTL1AKR1C3
SCHEMBL10461810 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL11372267 0.80 TBXA2R (0.69) NSD2SLC16A3ALDH1A1SMN1; SMN2SCN1A
SCHEMBL10867378 0.79 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL6848713 0.78 NSD2 (0.58) NSD2ALDH1A1SMN1; SMN2SCN1ASCN2A
SCHEMBL11107112 0.77 HDAC1 (0.53) NSD2SLC16A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL11107108 0.77 HDAC1 (0.53) NSD2SLC16A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL6754556 0.77 ALDH1A1 (0.69) ALDH1A1SCN1ASCN2ASCN3AKDM4E
SCHEMBL10452731 0.76 NSD2 (0.48) NSD2SLC16A3ALDH1A1MAPTSMN1; SMN2

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
EP-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed