SCHEMBL31273643

SCHEMBL31273643

COC(=O)c1nccc(CBr)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KDM4C Q9H3R0 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 2/20 0.36
HTT P42858 1/20 0.36
ROCK1 Q13464 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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
SCHEMBL23355571 0.85 KDM4E (0.38) CYP4F2CYP4A11KDM4CKDM4EKDM6B
SCHEMBL24323834 0.85 KDM4E (0.38) CYP4F2CYP4A11KDM4CKDM4EKDM6B
SCHEMBL7373737 0.83 KDM4E (0.38) CYP4F2CYP4A11KDM4CKDM4EKDM6B
SCHEMBL2350498 0.83 ATR (0.35) KDM4EALDH1A1ALOX15MAPTKMT2A
SCHEMBL25659397 0.81 SORD (0.41) ALDH1A1ALOX15NPSR1
SCHEMBL25177349 0.79 KMO (0.45) KDM4EALDH1A1
SCHEMBL2762628 0.77 KDM4E (0.40) CYP4F2CYP4A11KDM4CKDM4EKDM6B
SCHEMBL23355695 0.76 BACE1 (0.36) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL165741 0.75 KDM4E (0.41) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL7077382 0.75 KMT2A (0.43) KDM4CKDM4EKDM6BKDM5CKDM2A

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-115867535-B Substituted benzamides as modulators of TREX1 星座制药公司 2024-12-17 CN disclosed