SCHEMBL4336992

SCHEMBL4336992

C=C(C(O)=S)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CCR6 P51684 1/20 0.52
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 3/20 0.47
GAA P10253 2/20 0.47
ATG4B Q9Y4P1 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL4345810 0.91 RAB9A (0.45) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL18934701 0.83 LMNA (0.56) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL4341948 0.82 ALDH1A1 (0.48) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL4345805 0.82 CES2 (0.47) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL755762 0.79 LMNA (0.63) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL9461486 0.78
SCHEMBL596952 0.78
Hydrochloric Acid SCHEMBL1769091 0.78 LMNA (0.61) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL19085486 0.77 CES2 (0.50) LMNAL3MBTL1NAPRTP4HTMNPC1
SCHEMBL18934700 0.77 CES2 (0.50) LMNAL3MBTL1NAPRTP4HTMNPC1

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
WO-2009026380-A1 MEDICAL DEVICE WITH BIOFUNCTIONALIZED POLYMER COATING THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2009-02-26 WO claimed