SCHEMBL4159723

SCHEMBL4159723

Cc1ccc(C(=O)NCCS)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
LMNA P02545 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 7/20 0.60
RAB9A P51151 4/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
MMP13 P45452 1/20 0.58
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC3 O15379 1/20 0.51

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
SCHEMBL12308200 0.90 HDAC1 (0.58) POLBLMNANPC1RAB9AKMT2A
SCHEMBL11220601 0.88 LMNA (0.85) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL8414232 0.85 HDAC6 (0.53) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL8415068 0.85 HDAC1 (0.51) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL12308254 0.84 HDAC3 (0.53) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL16144546 0.82 LMNA (0.76) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL9489979 0.82 L3MBTL1 (0.86) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL765958 0.82 L3MBTL1 (0.74) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL764574 0.82 MMP13 (0.81) POLBLMNAL3MBTL1NPC1RAB9A
SCHEMBL8414393 0.82 POLB (0.56) POLBLMNAMMP13ALDH1A1HDAC1

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
US-20090030099-A1 FOAM COMPOSITION AND FOAM THE YOKOHAMA RUBBER CO., LTD. (JP) 2009-01-29 US disclosed