SCHEMBL27150682

SCHEMBL27150682

COC(=O)c1ccn(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.35
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EPHX1 P07099 1/20 0.34
ACKR3 P25106 1/20 0.34
ALDH1A1 P00352 2/20 0.34
JMJD6 Q6NYC1 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
DPP4 P27487 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
PDK1 Q15118 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
SCHEMBL13734447 0.87 KMT2A (0.49) KMT2APOLBTDP1MEN1NPC1
SCHEMBL2586290 0.84 GPR119 (0.48) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL24958725 0.81 PLAT (0.48) KMT2APOLBTDP1MEN1NPC1
SCHEMBL27669112 0.81 SIGMAR1 (0.36) KMT2APOLBTDP1MEN1KDM4E
Hydrochloric Acid SCHEMBL2581316 0.80 PLAT (0.47) KMT2APOLBTDP1MEN1NPC1
SCHEMBL24958742 0.77 KMT2A (0.43) KMT2APOLBTDP1MEN1NPC1
SCHEMBL23013359 0.77 KMT2A (0.50) KMT2APOLBTDP1MEN1NPC1
SCHEMBL22042066 0.77 KMT2A (0.43) KMT2APOLBTDP1MEN1NPC1
SCHEMBL22042043 0.77 KMT2A (0.43) KMT2APOLBTDP1MEN1NPC1
SCHEMBL22042067 0.76 KMT2A (0.43) KMT2APOLBTDP1MEN1NPC1

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-2024044748-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2024-02-29 WO disclosed