SCHEMBL5597568

SCHEMBL5597568

O=S(=O)(Nc1ccccc1)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.53
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KIF11 P52732 1/20 0.48
PPARD Q03181 1/20 0.47
AR P10275 1/20 0.46
NR1H3 Q13133 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MOGAT2 Q3SYC2 1/20 0.44

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
SCHEMBL7761716 0.83 MAPT (0.53) KITTSHRL3MBTL1KMT2ALMNA
SCHEMBL8366958 0.81 KIT (0.50) KITKMT2AMEN1LMNAMAPT
SCHEMBL14416437 0.80 PPARG (0.47) KITKMT2AMEN1MAPTHTT
SCHEMBL22446699 0.78 PPARD (0.47) KITKMT2AMEN1KIF11PPARD
SCHEMBL23035129 0.76 PPARD (0.46) KITKMT2AMEN1KIF11PPARD
SCHEMBL7572845 0.76 KMT2A (0.67) KMT2AMEN1ARNR1H3ALDH1A1
SCHEMBL14416436 0.75 MLNR (0.46) KITKMT2AMEN1LMNAMAPT
SCHEMBL14416440 0.75 MLNR (0.52) KITKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL27214218 0.73 SLC40A1 (0.72) AGTR1
SCHEMBL28654691 0.73 POLB (0.49) KMT2AKIF11PPARDKDM4EALDH1A1

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-1814549-A2 METHOD FOR TREATING HIV INFECTION THROUGH CO-ADMINISTRATION OF TIPRANAVIR AND UK-427, 857 Boehringer Ingelheim International GmbH (DE) 2007-08-08 EP disclosed
WO-2006055660-A2 METHOD FOR TREATING HIV INFECTION THROUGH CO-ADMINISTRATION OF TIPRANAVIR AND UK-427, 857 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-26 WO disclosed