SCHEMBL30829486

SCHEMBL30829486

O=C(O)c1ccnn1-c1ccc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.39
NAPRT Q6XQN6 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 4/20 0.33
KDM5B Q9UGL1 4/20 0.33
TSHR P16473 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
ROCK1 Q13464 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLS O94925 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL30829473 0.81 F2 (0.45) KDM4EMAPTTSHRALDH1A1
SCHEMBL856957 0.73 POLB (0.52) GAAKDM4EMAPTROCK1ALDH1A1
SCHEMBL15130172 0.72 KDM4E (0.42) KDM4CNAPRTKDM4EMAPTKDM5A
Hydrochloric Acid SCHEMBL11893514 0.72 POLB (0.50) GAAKDM4EMAPTROCK1ALDH1A1
SCHEMBL7195355 0.69 POLB (0.49) KDM4CNAPRTGAAKDM4EMAPT
SCHEMBL23780341 0.68 NAPRT (0.43) KDM4CNAPRTGAAKDM4EKDM5A
SCHEMBL6663757 0.68 DAO (0.41) KDM4CKDM4EALDH1A1GLSPOLB
SCHEMBL4666204 0.68 ALKBH2 (0.50) KDM4CNAPRTKDM4EKDM5AKDM5B
SCHEMBL29912643 0.68 ALKBH2 (0.50) KDM4CNAPRTKDM4EKDM5AKDM5B
SCHEMBL17793830 0.67 SLC6A7 (0.39) KDM4CNAPRTKDM4EKDM5AKDM5B

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-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed