SCHEMBL4345810

SCHEMBL4345810

C=C(C(O)=S)c1ccccn1.C=CC(O)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.45
CCR6 P51684 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
PKM P14618 3/20 0.41
GAA P10253 2/20 0.41
ATG4B Q9Y4P1 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4336992 0.91 LMNA (0.52) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL9620186 0.78 CES2 (0.47) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL18934701 0.75 LMNA (0.56) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL4341948 0.74 ALDH1A1 (0.48) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL4345805 0.74 CES2 (0.47) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL455188 0.74 CES2 (0.50) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL2901449 0.74 LMNA (0.54) RAB9ANPC1MAPTSMN1; SMN2NPSR1
Styrene SCHEMBL27267441 0.73 ALDH1A1 (0.45) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL755762 0.72 LMNA (0.63) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL23416475 0.71 L3MBTL1 (0.43) RAB9ANPC1MAPTSMN1; SMN2NPSR1

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