SCHEMBL7030705

SCHEMBL7030705

O=C(O)C1(C(F)(F)F)CCc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
GAA P10253 1/20 0.35
PTK2B Q14289 1/20 0.35
HDAC9 Q9UKV0 1/20 0.33
RIPK1 Q13546 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AHR P35869 1/20 0.33
PDK2 Q15119 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
SCHEMBL10098236 0.74 MEN1 (0.43) MEN1KMT2ANPC1MAPK13MAPK12
SCHEMBL859294 0.68 NPC1 (0.41) MEN1KMT2ANPC1MAPK13MAPK12
Trifluoroacetic Acid SCHEMBL526603 0.67 NPC1 (0.71) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5331013 0.65 MAPT (0.46) MEN1KMT2ANPC1MAPK13MAPK12
SCHEMBL29789709 0.65 MAPT (0.46) MEN1KMT2ANPC1MAPK13MAPK12
SCHEMBL30542598 0.65 MEN1 (0.44) MEN1KMT2ANPC1MAPK13MAPK12
SCHEMBL26613492 0.65 ALDH1A1 (0.47) MEN1KMT2ANPC1MAPK13MAPK12
SCHEMBL26613377 0.65 MEN1 (0.44) MEN1KMT2ANPC1MAPK13MAPK12
Trifluoroacetic Acid SCHEMBL527380 0.65 MAPT (0.73) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29746291 0.64 MAPT (0.38) MEN1KMT2ANPC1MAPK13MAPK12

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-1274700-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS Pharmacia Corporation (US) 2003-01-15 EP disclosed
WO-2001049675-A1 DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2001-07-12 WO disclosed