SCHEMBL24204809

SCHEMBL24204809

O=C(CCC1CNC1)N1CCN(C2CCN(I)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 1/20 0.41
HSD11B1 P28845 1/20 0.40
ATM Q13315 1/20 0.39
HRH3 Q9Y5N1 5/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL24802286 0.88 ITGB3 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24204530 0.86 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24204567 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL24206641 0.78 ACACB (0.43) MEN1KMT2AALDH1A1HRH3GNAI3
SCHEMBL24803097 0.77 L3MBTL1 (0.49) MEN1KMT2AMAPTHRH3GNAI3
SCHEMBL26067161 0.77 ITGB3 (0.54) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL19313001 0.74 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EHRH3
SCHEMBL24802116 0.74 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL25955527 0.74 KMT2A (0.57) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL26042822 0.71 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EMAPT

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
WO-2022012623-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-01-20 WO disclosed