SCHEMBL29954901

SCHEMBL29954901

O=Cc1c(Cl)cccc1OC1CCCCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSEN1 P49768 10/20 0.35
PSEN2 P49810 10/20 0.35
APH1B Q8WW43 10/20 0.35
NCSTN Q92542 10/20 0.35
APH1A Q96BI3 10/20 0.35
PSENEN Q9NZ42 10/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CCR2 P41597 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 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
SCHEMBL2556951 0.79 ALDH1A1 (0.39) MEN1ALDH1A1KMT2APSEN1PSEN2
SCHEMBL2556336 0.75 NPC1 (0.36) MEN1ALDH1A1KMT2ATDP1PSEN1
SCHEMBL2557305 0.73 SRC (0.43) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2555346 0.72 SRC (0.38) TDP1PSEN1PSEN2APH1BNCSTN
SCHEMBL29346880 0.71 DDB1 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL29956283 0.70 ALDH1A1 (0.43) ALDH1A1DDB1CRBNCCR2HPGD
SCHEMBL31729987 0.69 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ATDP1HPGD
SCHEMBL29954114 0.69 PDE4B (0.51) ALDH1A1TDP1HPGD
SCHEMBL29954892 0.69 ALDH1A1 (0.50) ALDH1A1TDP1HPGDMAPT
SCHEMBL2561769 0.68 ALDH1A1 (0.40) MEN1ALDH1A1KMT2APSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed