SCHEMBL24521558

SCHEMBL24521558

O=C(CCc1cnc[nH]1)NCc1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
EPHX2 P34913 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
RECQL P46063 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL24521559 0.79 NLN (0.60)
SCHEMBL2741584 0.78 TAAR1 (0.54) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL24521563 0.77 KMT2A (0.54) MEN1KMT2ALMNAEPHX2
SCHEMBL24521575 0.75 MEN1 (0.47) MEN1KMT2ACYP2D6CYP2C19EPHX2
SCHEMBL24521564 0.75 MEN1 (0.47) MEN1KMT2ACYP2D6CYP2C19EPHX2
SCHEMBL7849085 0.74 MEN1 (0.87) MEN1KMT2ALMNARECQLTRPV1
SCHEMBL27858969 0.74 EPHX2 (0.62) MEN1KMT2AEPHX2
SCHEMBL24521599 0.74 MEN1 (0.59) MEN1KMT2ACYP3A4CYP2C19EPHX2
SCHEMBL24521507 0.74 EPHX2 (0.62) MEN1KMT2AEPHX2TRPV1
SCHEMBL6981160 0.73 PTGES (0.49) MEN1KMT2ACYP3A4CYP2D6CYP2C19

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