SCHEMBL28876608

SCHEMBL28876608

CN(C)Cc1cc(OC(N)=O)ncc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
PABPC1 P11940 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A3 Q01959 4/20 0.32
NNMT P40261 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL23089103 0.82 NNMT (0.31) MEN1KMT2ANNMTSIRT6
SCHEMBL15881230 0.75 NNMT (0.46) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL28898024 0.74 NCOA1 (0.43) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL28876579 0.73 MAP4K1 (0.38)
SCHEMBL29150549 0.72 PARP1 (0.31)
SCHEMBL28898026 0.71 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL23089282 0.70 GRM4 (0.35) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL27067135 0.70 SLC6A2 (0.45) ALDH1A1CYP2D6MEN1KMT2AKDM4E
SCHEMBL23089073 0.70 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL29239402 0.70 NCEH1 (0.31) ALDH1A1CYP2D6MEN1KMT2AKDM4E

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
CN-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 CN disclosed