SCHEMBL18801082

SCHEMBL18801082

COc1c(-n2cccn2)ccc(CSc2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
KMT2A Q03164 3/20 0.36
NPBWR1 P48145 1/20 0.36
BRD4 O60885 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC37A4 O43826 1/20 0.34
MPO P05164 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
PSMD14 O00487 1/20 0.33

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
SCHEMBL18801436 0.82 CYP19A1 (0.39) KMT2ABRD4ALDH1A1NPC1RAB9A
SCHEMBL1648393 0.80 KAT6A (0.40) KMT2ANPBWR1MEN1ALDH1A1MAPT
SCHEMBL18801417 0.77 KMT2A (0.44) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL18801282 0.76 KMT2A (0.43) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL18801137 0.75 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL18801059 0.74 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL18801035 0.72 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL18801280 0.71 KMT2A (0.39) PPARGPPARAKMT2AMEN1ALDH1A1
SCHEMBL18801149 0.70 L3MBTL1 (0.39) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL18801305 0.69 METAP2 (0.54) KMT2AMEN1ALDH1A1MAPTNPC1

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