SCHEMBL30967883

SCHEMBL30967883

COC(=O)CC(=O)Cc1cccc(Br)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KAT6A Q92794 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL29336965 1.00 KDM4E (0.38) KDM4EKMT2AATMMEN1TSHR
SCHEMBL31284578 0.89 KDM4E (0.43) KDM4EKMT2AATMMEN1TSHR
SCHEMBL27984139 0.89 KDM4E (0.43) KDM4EKMT2AATMMEN1TSHR
SCHEMBL34471907 0.78 KMT2A (0.41) KDM4EKMT2AATMMEN1TSHR
SCHEMBL27094100 0.77 L3MBTL1 (0.40) KDM4EKMT2AATMMEN1MAPK1
SCHEMBL29993025 0.77 L3MBTL1 (0.40) KDM4EKMT2AATMMEN1MAPK1
SCHEMBL31053240 0.77 PKM (0.44) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL671835 0.77 PKM (0.44) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL16396597 0.75 ALDH1A1 (0.46) KDM4EKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5741892 0.75 AKR1B1 (0.48) KDM4ECYP2C9CYP2C19LMNAMAPT

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed