SCHEMBL7792756

SCHEMBL7792756

[CH2]c1cc(NC(=O)C(F)(F)F)cc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
GPR35 Q9HC97 1/20 0.40
NPY5R Q15761 3/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6935128 0.79 CA12 (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL7080547 0.79 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL11518894 0.79 L3MBTL1 (0.79) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL3200467 0.78 MEN1 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL20981664 0.77 L3MBTL1 (0.82) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL10073227 0.75 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL26623605 0.75 L3MBTL1 (0.49) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL18247723 0.75 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19CA2
SCHEMBL5572981 0.75 MAPT (0.61) MAPTMEN1KMT2ALMNAGPR35
SCHEMBL24350476 0.75 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C9CYP2C19CA2

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-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed