SCHEMBL28512951

SCHEMBL28512951

C=C(C(=O)OCC)N(C)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CDC7 O00311 4/20 0.40
▸ DBF4 Q9UBU7 4/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CHRM5 P08912 1/20 0.37
▸ CHKA P35790 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ CTDSP1 Q9GZU7 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
SCHEMBL361412 0.84 POLB (0.43) POLQKMT2AKDM4ECDC7DBF4
SCHEMBL28427631 0.80 LMNA (0.55) POLQKMT2AKDM4ECDC7DBF4
SCHEMBL14192258 0.74 KMT2A (0.49) POLQKMT2AKDM4ECHRM5CHKA
SCHEMBL9204659 0.73 ALDH1A1 (0.47) KMT2AKDM4ECDC7DBF4ALDH1A1
SCHEMBL23647319 0.73 HCAR2 (0.42) POLQKMT2AKDM4ECDC7DBF4
SCHEMBL28836151 0.73 KMT2A (0.41) POLQKMT2AKDM4ECDC7DBF4
SCHEMBL24435364 0.71 KDM4E (0.46) POLQKMT2AKDM4EALDH1A1HPGD
SCHEMBL27568133 0.71 CA12 (0.42) KMT2AKDM4ECDC7DBF4ALDH1A1
SCHEMBL429504 0.70 KDM4E (0.52) POLQKMT2AKDM4EALDH1A1MAPT
SCHEMBL220871 0.69 ALDH1A1 (0.48) KMT2AALDH1A1MAPTHSD17B10TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279984-B Method for preparing catalytic nano microsphere by polymerization-induced self-assembly 浙江理工大学 2023-05-09 — — CN disclosed
CN-112279984-A Method for preparing catalytic nano-microspheres by polymerization-induced self-assembly 浙江理工大学 2021-01-29 — — CN disclosed
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