SCHEMBL18801059

SCHEMBL18801059

COc1c(-c2ccccc2)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
SLC37A4 O43826 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GFER P55789 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
QRFPR Q96P65 1/20 0.36
FOLH1 Q04609 1/20 0.36
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
BACE1 P56817 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL18801055 0.87 SLC37A4 (0.38) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL1649341 0.87 METAP2 (0.47) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801286 0.85 SLC37A4 (0.37) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801417 0.85 KMT2A (0.44) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801282 0.84 KMT2A (0.43) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801293 0.83 KMT2A (0.45) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801137 0.83 KMT2A (0.43) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801149 0.81 L3MBTL1 (0.39) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801404 0.81 KMT2A (0.38) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A
SCHEMBL18801035 0.80 KMT2A (0.43) KMT2ASLC37A4SMN1; SMN2NPC1RAB9A

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-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed