SCHEMBL4018370

SCHEMBL4018370

O=S(=O)(Cc1ccccc1)c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.47
FAAH O00519 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
ELANE P08246 1/20 0.47
PRTN3 P24158 1/20 0.47
PRSS3 P35030 1/20 0.47
GBA1 P04062 1/20 0.46
DAO P14920 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
HTR6 P50406 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
PGR P06401 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL779990 0.89 L3MBTL1 (0.55) KMT2AMEN1L3MBTL1TSHRHSD17B10
Benzylsulfonylbenzene SCHEMBL780337 0.80 TSHR (0.68) KMT2ATSHRHSD17B10MAPTFAAH
SCHEMBL776229 0.79 MAPT (0.61) KMT2AL3MBTL1TSHRHSD17B10MAPT
SCHEMBL28293647 0.79 TSHR (0.62) KMT2ATSHRHSD17B10MAPTFAAH
SCHEMBL23657904 0.79 MLNR (0.53) KMT2AMEN1L3MBTL1TAS2R14ALDH1A1
SCHEMBL30833518 0.79 MEN1 (0.46) KMT2AMEN1L3MBTL1GBA1PGR
SCHEMBL17942342 0.79 MEN1 (0.46) KMT2AMEN1L3MBTL1GBA1PGR
SCHEMBL19707186 0.79 MMP2 (0.55) TSHRHSD17B10MAPTFAAHPRSS1
SCHEMBL4205946 0.79 TSHR (0.53) TSHRHSD17B10MAPTFAAHPRSS1
SCHEMBL10181269 0.79 LOXL2 (0.49) KMT2AMEN1L3MBTL1TSHRHSD17B10

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
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed