SCHEMBL29203407

SCHEMBL29203407

CC(C)[C@H]1COCC(COc2ccc(Br)cc2)N1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ESRRG P62508 3/20 0.35
ESRRB O95718 2/20 0.35
KCNH2 Q12809 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL29203471 0.83 KDM4E (0.41) TSHRKDM4ERECQLTDP1USP2
SCHEMBL29203340 0.80 KDM4E (0.41) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL30240828 0.80 KDM4E (0.41) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL29203341 0.80 KDM4E (0.41) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL24933238 0.73 TSHR (0.37) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL29203483 0.71 TSHR (0.44) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL24933240 0.71 TSHR (0.36) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL15301046 0.71 TSHR (0.41) TSHRKDM4ETDP1ALDH1A1
SCHEMBL29203469 0.70 TSHR (0.43) TSHRKDM4ERECQLTDP1ALDH1A1
SCHEMBL29203467 0.70 DPP4 (0.34) TSHRKDM4EALDH1A1USP2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed