SCHEMBL8663946

SCHEMBL8663946

O=S(=O)(NC(F)(F)F)c1ccccc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
KAT6A Q92794 5/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ACLY P53396 2/20 0.40
IDH2 P48735 1/20 0.38
MAPT P10636 3/20 0.38
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
CHRM1 P11229 1/20 0.37
PKM P14618 1/20 0.37
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8662730 0.80 NPC1 (0.42) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL10547713 0.75 MAPK1 (0.49) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL29484301 0.75 MAPK1 (0.49) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL8759101 0.75 MAPK1 (0.49) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL15266274 0.75 MAPK1 (0.49) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL621024 0.75 MAPK1 (0.49) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL4341886 0.70 MAPK1 (0.67) NPC1MAPK1MEN1KMT2AMAPT
SCHEMBL30183430 0.69 MAPK1 (0.49) NPC1MAPK1KAT6AMEN1KMT2A
SCHEMBL6465448 0.69 HCRTR1 (0.52) NPC1MAPK1
SCHEMBL31297066 0.68 MAPT (0.53) NPC1MAPK1MEN1KMT2AMAPT

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-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 EP disclosed
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed