SCHEMBL24521575

SCHEMBL24521575

Cn1cncc1CCC(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NTRK1 P04629 1/20 0.46
P2RX7 Q99572 5/20 0.45
EPHX2 P34913 5/20 0.44
PTGES O14684 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PLK1 P53350 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL24521564 0.87 MEN1 (0.47) MEN1KMT2ANTRK1P2RX7EPHX2
SCHEMBL24521516 0.82 MEN1 (0.44) MEN1KMT2ANTRK1P2RX7EPHX2
SCHEMBL7081814 0.80 SCN8A (0.44) MEN1KMT2ANTRK1P2RX7PTGES
SCHEMBL24521599 0.75 MEN1 (0.59) MEN1KMT2AP2RX7EPHX2TAOK1
SCHEMBL24521558 0.75 MEN1 (0.54) MEN1KMT2AEPHX2CYP1A2CYP2D6
SCHEMBL24521563 0.73 KMT2A (0.54) MEN1KMT2ANTRK1P2RX7EPHX2
SCHEMBL27858969 0.73 EPHX2 (0.62) MEN1KMT2AP2RX7EPHX2CNR1
SCHEMBL24521507 0.72 EPHX2 (0.62) MEN1KMT2AEPHX2TAOK1TAOK3
SCHEMBL13059390 0.72 TAOK1 (0.58) MEN1KMT2AP2RX7EPHX2CNR1
SCHEMBL23135875 0.72 TAOK1 (0.53) MEN1KMT2AP2RX7EPHX2CNR1

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
EP-4015501-A1 N-BENZYL-ALPHA-AMINOAMIDES AS ANAPHASE-PROMOTING COMPLEX/CYCLOSOME (APC/C) INHIBITORS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2022-06-22 EP disclosed