SCHEMBL29953428

SCHEMBL29953428

OB(O)c1ccc(C(F)(F)F)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MGLL Q99685 2/20 0.33
SLC40A1 Q9NP59 2/20 0.33
BACE1 P56817 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACP1 P24666 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 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
SCHEMBL29957517 0.88 AXL (0.38) MAPTKIF11KDM4EMEN1KMT2A
SCHEMBL29875461 0.80 MAPT (0.50) MAPTKDM4EMGLLTRPV6MAPK1
SCHEMBL1427222 0.80 MAPT (0.50) MAPTKDM4EMGLLTRPV6MAPK1
SCHEMBL29496213 0.77 SLC40A1 (0.47) KDM4EMEN1KMT2ASLC40A1HTT
SCHEMBL10272166 0.77 SLC40A1 (0.47) KDM4EMEN1KMT2ASLC40A1HTT
SCHEMBL15958515 0.74 ALDH1A1 (0.39) MAPTKIF11KDM4EMEN1KMT2A
SCHEMBL4288 0.74 ENPP2 (0.41) MEN1KMT2AMGLLTRPV6LMNA
SCHEMBL29410834 0.74 ENPP2 (0.41) MEN1KMT2AMGLLTRPV6LMNA
SCHEMBL17371017 0.73 MAPT (0.45) MAPTKDM4EMGLLTRPV6MAPK1
SCHEMBL6566550 0.72 IDO1 (0.59) MAPTKIF11KDM4EMEN1KMT2A

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