SCHEMBL14217534

SCHEMBL14217534

C1=CCCC(CNCc2ccccc2)=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DPP7 Q9UHL4 3/20 0.40
MAOA P21397 1/20 0.40
CHRM2 P08172 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
BCHE P06276 1/20 0.39
GRIN2B Q13224 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL21119483 0.85 GAA (0.51) MEN1KMT2ATDP1DPP7GAA
SCHEMBL17827158 0.82 MEN1 (0.47) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL14217533 0.80 LOXL2 (0.45) MAOAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL9629583 0.80 MEN1 (0.52) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL3923571 0.78 CALM1 (0.42) GRIN2BCYP1A2CYP2D6CA2
SCHEMBL23264453 0.77 MAOA (0.37) MEN1KMT2ADPP7MAOAMAPT
SCHEMBL21776044 0.72 HPGD (0.55) CYP1A2CYP2D6CYP2C19CA1CA2
SCHEMBL16373456 0.72 ALOX12 (0.41) MEN1KMT2ATDP1MAOAGAA
SCHEMBL5799878 0.72 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL1654 0.72 MEN1 (0.78) MEN1KMT2ATDP1MAOACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021150170-A1 AMINE COMPOUND, REACTIVE COALESCING AGENT, COATING COMPOSITION, COATING LAYER AND RELATED METHODS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-07-29 WO disclosed
EP-3373379-B1 ADDITIVE FOR NONAQUEOUS ELECTROLYTE SOLUTIONS, NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE SUMITOMO SEIKA CHEMICALS (JP) 2020-10-21 EP disclosed
WO-2020022779-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-01-30 WO disclosed
EP-1918261-A1 Chemical etching composition for the preparation of 3-d nanostructures Forschungszentrum Karlsruhe GmbH (DE) 2008-05-07 EP disclosed