SCHEMBL28850941

SCHEMBL28850941

O=NOC(=O)c1cc(C(F)(F)F)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 2/20 0.31
POLQ O75417 1/20 0.31
SOS1 Q07889 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL30824163 0.82 SOS1 (0.47) NOTUMPOLQSOS1
SCHEMBL17293016 0.82 SOS1 (0.47) NOTUMPOLQSOS1
SCHEMBL2987993 0.80 KMT2A (0.38) KMT2A
SCHEMBL29664135 0.80 KMT2A (0.38) KMT2A
Nitrous Acid SCHEMBL28850943 0.79 ASPH (0.41)
SCHEMBL24550780 0.78 KDM4E (0.49) KMT2A
SCHEMBL30536957 0.78 KDM4E (0.49) KMT2A
SCHEMBL2990846 0.78 ASPH (0.45) NOTUM
SCHEMBL30018797 0.78 ASPH (0.45) NOTUM
SCHEMBL28883217 0.77 RAB9A (0.33) POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
CN-115212311-A Pharmaceutical composition and application thereof 苏州亚盛药业有限公司 2022-10-21 CN disclosed
CN-114127073-A Imidazopyrimidines as EED inhibitors and uses thereof 美国密歇根州立大学试剂中心 2022-03-01 CN disclosed