SCHEMBL28306022

SCHEMBL28306022

Brc1cccc2c3ccccc3n(-c3ccccc3I)c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ MGLL Q99685 2/20 0.33
▸ GPR3 P46089 1/20 0.31
▸ PDE7A Q13946 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ BTK Q06187 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
SCHEMBL25277587 0.86 KDM4E (0.42) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL20747042 0.86 DUSP3 (0.45) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL14917518 0.82 ALDH1A1 (0.50) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL21148082 0.80 KDM4E (0.42) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL29307082 0.80 ALKBH5 (0.54) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL20068679 0.78 ALDH1A1 (0.34) KDM4EATML3MBTL1ALDH1A1
SCHEMBL29669604 0.77 L3MBTL1 (0.61) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL781334 0.77 L3MBTL1 (0.61) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL19890650 0.76 CYP2A6 (0.36) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL28842677 0.75 TSPO (0.41) KDM4EATML3MBTL1ALDH1A1MGLL

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-110003254-A Heterocyclic compounds containing boron and nitrogen 北京夏禾科技有限公司 2019-07-12 — — CN disclosed
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