SCHEMBL29954713

SCHEMBL29954713

O=CC1C(=O)Nc2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
HTR1A P08908 1/20 0.36
IDO1 P14902 4/20 0.35
TGM2 P21980 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
PDGFRB P09619 2/20 0.34
LRRK2 Q5S007 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL1314441 0.86 HTR7 (0.40) HTR7KMT2APIM1PIM2TGM2
SCHEMBL29956773 0.79 GAA (0.39) MEN1KMT2APIM1PIM2CYP2C19
SCHEMBL29955806 0.79 CACNB4 (0.41) PIM1PIM2TGM2
SCHEMBL29957172 0.76 CA2 (0.43) NPC1PIM1PIM2
SCHEMBL24112740 0.75 PGR (0.45) HTR7MEN1NPC1KMT2AHTR1A
SCHEMBL15730556 0.75 PGR (0.45) HTR7MEN1NPC1KMT2AHTR1A
SCHEMBL29951005 0.74 IDO1 (0.47) MEN1NPC1KMT2AIDO1MAPT
SCHEMBL1101964 0.74 IDO1 (0.47) MEN1NPC1KMT2AIDO1MAPT
SCHEMBL31244592 0.72 PARP1 (0.40) MEN1NPC1KMT2ATGM2MAPT
SCHEMBL20371515 0.71 MAOB (0.53) HTR7MEN1NPC1KMT2AHTR1A

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