SCHEMBL290039

SCHEMBL290039

[CH]1C=CCc2cc3ccccc3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2A6 P11509 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR3A P46098 1/20 0.32
MAPT P10636 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5918689 0.96 MEN1 (0.35) MEN1KMT2ACYP2A6TDP1HTR3A
SCHEMBL395756 0.78 MEN1 (0.40) MEN1KMT2ACYP2A6TDP1CYP3A4
SCHEMBL9819780 0.78 MEN1 (0.40) MEN1KMT2ACYP2A6TDP1CYP3A4
SCHEMBL30390125 0.77 MEN1 (0.39) MEN1KMT2A
SCHEMBL5475167 0.75 MEN1 (0.38) MEN1KMT2ATDP1MAPTCYP3A4
SCHEMBL30003181 0.74 MEN1 (0.48) MEN1KMT2ACYP2A6TDP1HTR3A
SCHEMBL308186 0.74 MEN1 (0.48) MEN1KMT2ACYP2A6TDP1HTR3A
SCHEMBL183111 0.73 CA1 (0.42) CYP2D6TSHRCYP2C19
SCHEMBL5064665 0.71 TDP2 (0.37) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL5064122 0.71 TYRO3 (0.38) MEN1KMT2AMAPTKDM4ENPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021259798-A1 ((((3-HALOPHENYL)(PHENYL)METHYL)SULFINYL)METHYL)THIOPHENE COMPOUNDS AND DIASTEREOMERIC FORMS THEREOF FOR USE IN IMPROVING COGNITIVE FUNCTIONS RED BULL GMBH (AT) 2021-12-30 WO disclosed
WO-2021048284-A1 THIAZOLE AND DIPHENYL SUBSTITUTED SULFOXIDES FOR USE IN IMPROVING COGNITION FUNCTIONS AND AGAINST ADDICTIONS TO SUBSTANCES RED BULL GMBH (AT) 2021-03-18 WO disclosed
WO-2014074027-A1 POLYMERS AND THEIR USE IN PHOTOVOLTAIC DEVICES LANXESS DEUTSCHLAND GMBH (DE) 2014-05-15 WO disclosed
EP-2427186-A2 DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2012-03-14 EP disclosed
WO-2010128050-A2 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2010-11-11 WO disclosed
EP-1912982-A2 NOVEL HETEROCYCLIC NF- B INHIBITORS 4SC AG (DE) 2008-04-23 EP disclosed
WO-2007016979-A2 NOVEL HETEROCYCLIC NF-κB INHIBITORS 4SC AG (DE) 2007-02-15 WO disclosed