SCHEMBL18801293

SCHEMBL18801293

COc1c(-c2ccco2)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
METAP2 P50579 1/20 0.43
SLC37A4 O43826 1/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
POLB P06746 3/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 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
SCHEMBL18801059 0.83 KMT2A (0.42) KMT2ASLC37A4RAB9ANPC1L3MBTL1
SCHEMBL1649341 0.81 METAP2 (0.47) KMT2AMETAP2SLC37A4RAB9ANPC1
SCHEMBL18801417 0.79 KMT2A (0.44) KMT2AMETAP2SLC37A4RAB9ANPC1
SCHEMBL1649016 0.79 METAP2 (0.47) KMT2AMETAP2L3MBTL1ALDH1A1TUBB4A
SCHEMBL18801282 0.78 KMT2A (0.43) KMT2ASLC37A4RAB9ANPC1POLB
SCHEMBL18801404 0.77 KMT2A (0.38) KMT2ASLC37A4RAB9ANPC1POLB
SCHEMBL18801137 0.77 KMT2A (0.43) KMT2ASLC37A4RAB9ANPC1HPGD
SCHEMBL18801055 0.76 SLC37A4 (0.38) KMT2ASLC37A4RAB9ANPC1L3MBTL1
SCHEMBL18801149 0.76 L3MBTL1 (0.39) KMT2ASLC37A4RAB9ANPC1POLB
SCHEMBL18801286 0.75 SLC37A4 (0.37) KMT2ASLC37A4RAB9ANPC1POLB

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