SCHEMBL28058971

SCHEMBL28058971

O=C(O)c1cccn1CC(=S)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SRD5A2 P31213 1/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2332245 0.85 MAPT (0.57) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL28058807 0.83 ALDH1A1 (0.54) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL8942396 0.76 VEGFA (0.57) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL5516710 0.73 KMT2A (0.68) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL20916882 0.73 NPC1 (0.51) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL6900631 0.71 MEN1 (0.60) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL17962565 0.71 ALDH1A1 (0.50) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL28058908 0.70 CA1 (0.46) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL2336600 0.70 GSK3B (0.51) RECQLMAPTALDH1A1MEN1LMNA
SCHEMBL11731940 0.69 RECQL (0.61) RECQLMAPTALDH1A1MEN1LMNA

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
CN-102844318-B Be used for the treatment of the compound of respiratory syncytial virus infection BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-04-13 CN disclosed