SCHEMBL18868643

SCHEMBL18868643

C=C(CC(=O)c1cccc2cccnc12)SC(=C)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 3/20 0.47
EGLN1 Q9GZT9 4/20 0.43
ALDH1A1 P00352 4/20 0.42
PARP1 P09874 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKLR P30613 1/20 0.37

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
SCHEMBL18868644 0.70 ALDH1A1 (0.45) GLO1ALDH1A1PARP1SMN1; SMN2LMNA
SCHEMBL27593827 0.69 PARP1 (0.68) EGLN1ALDH1A1PARP1HPGDSMN1; SMN2
SCHEMBL9701377 0.69 PARP1 (0.58) EGLN1ALDH1A1PARP1HPGDSMN1; SMN2
SCHEMBL10108717 0.68 GLO1 (0.43) GLO1EGLN1ALDH1A1PARP1HPGD
SCHEMBL10108698 0.68 GLO1 (0.43) GLO1EGLN1ALDH1A1PARP1HPGD
SCHEMBL29749881 0.68 PARP1 (0.70) EGLN1ALDH1A1PARP1HPGDSMN1; SMN2
SCHEMBL111826 0.68 PARP1 (0.70) EGLN1ALDH1A1PARP1HPGDSMN1; SMN2
SCHEMBL6983554 0.67 EGLN1 (0.76) EGLN1HPGDLMNAMEN1NPC1
Hydrochloric Acid SCHEMBL7320778 0.67 PARP1 (0.68) EGLN1ALDH1A1PARP1HPGDSMN1; SMN2
SCHEMBL16859274 0.67 PARP1 (0.68) EGLN1ALDH1A1PARP1HPGDSMN1; 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-2428504-B1 Small molecule inhibitors of the pleckstrin homology domain and method for using same UNIV TEXAS (US) 2017-05-17 EP disclosed