SCHEMBL29632582

SCHEMBL29632582

C[C@@H]1CN(Cc2cc(N)nc(Br)c2)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC6 Q9UBN7 3/20 0.38
GRM2 Q14416 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2A13 Q16696 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
SLC2A1 P11166 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL26604074 0.90 GAA (0.45) GAALMNAKDM4ETDP1ATM
SCHEMBL797884 0.83 GAA (0.47) GAALMNAKDM4ETDP1ATM
SCHEMBL797883 0.83 GAA (0.47) GAALMNAKDM4ETDP1ATM
SCHEMBL29632685 0.76 GRM2 (0.42) GAALMNAKDM4ETDP1ATM
SCHEMBL29632634 0.76 HRH4 (0.47) GAALMNAKDM4ETDP1ATM
SCHEMBL19159645 0.75 LMNA (0.44) GAALMNAKDM4ETDP1ATM
SCHEMBL19160009 0.75 LMNA (0.44) GAALMNAKDM4ETDP1ATM
SCHEMBL15277752 0.75 LMNA (0.44) GAALMNAKDM4ETDP1ATM
SCHEMBL15260179 0.75 LMNA (0.44) GAALMNAKDM4ETDP1ATM
SCHEMBL22353526 0.75 GAA (0.46) GAALMNAKDM4ETDP1ATM

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-2022086284-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2022-04-28 WO disclosed