SCHEMBL30725358

SCHEMBL30725358

CC(=O)OCCn1c(C)nc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
IDO1 P14902 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
BRD4 O60885 2/20 0.43
ATM Q13315 1/20 0.40
PDE6D O43924 1/20 0.39
AKR1B10 O60218 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
HRH1 P35367 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL26979697 1.00 MAPT (0.46) MAPTKDM4EMEN1USP2IDO1
SCHEMBL13587967 0.81 LMNA (0.57) KDM4EHTTALDH1A1PDE6DHRH1
SCHEMBL22128333 0.81 POLB (0.44) MAPTKDM4EHTTALDH1A1ATM
SCHEMBL22128335 0.81 POLB (0.44) MAPTKDM4EHTTALDH1A1ATM
SCHEMBL18404171 0.80 KDM4E (0.48) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL26979174 0.79 KMT2A (0.56) MAPTKDM4EMEN1HTTKMT2A
SCHEMBL18496285 0.78 BRD4 (0.60) MAPTMEN1USP2HTTKMT2A
SCHEMBL29719369 0.78 BRD4 (0.60) MAPTMEN1USP2HTTKMT2A
SCHEMBL25679737 0.77 KDM4E (0.57) MAPTKDM4EMEN1USP2IDO1
SCHEMBL22152198 0.77 TSHR (0.48) MAPTMEN1HTTKMT2AGALR3

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-2023250156-A1 4-ALKOXYPYRROLO[2,1-F][1,2,4]TRIAZINES AND PREPARATION AND USES THEREOF BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed