SCHEMBL29956046

SCHEMBL29956046

CCNC(=O)CN(C)c1ccc(F)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ERN1 O75460 1/20 0.35
MAPT P10636 2/20 0.34
ACKR3 P25106 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 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
SCHEMBL2560999 0.89 GRIN2B (0.40) ALDH1A1MEN1KMT2AERN1ACKR3
SCHEMBL29955288 0.88 ALDH1A3 (0.38) MPOLMNAALDH1A1MEN1KMT2A
SCHEMBL2557844 0.86 ERN1 (0.37) MPOLMNAALDH1A1MEN1KMT2A
SCHEMBL2558468 0.83 GRIN2B (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL15330752 0.82 MEN1 (0.42) LMNAALDH1A1MEN1KMT2AERN1
SCHEMBL29957679 0.81 NOTUM (0.39) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL29955419 0.81 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29956412 0.81 ERN1 (0.46) LMNAALDH1A1KMT2AERN1MAPT
SCHEMBL29956614 0.80 LMNA (0.43) LMNAMEN1KMT2AMAPTACKR3
SCHEMBL2563489 0.80 ERN1 (0.39) MPOALDH1A1ERN1MAPTKDM4E

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