SCHEMBL30568901

SCHEMBL30568901

CC(C)(O)CNc1c([N+](=O)[O-])ccc(F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.38
AR P10275 4/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PGR P06401 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 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
SCHEMBL20512543 1.00 LMNA (0.38) LMNARECQLARALDH1A1MAPT
SCHEMBL30568936 0.86 LMNA (0.36) LMNARECQLARALDH1A1MAPT
SCHEMBL20512483 0.86 LMNA (0.36) LMNARECQLARALDH1A1MAPT
SCHEMBL31215704 0.85 ATM (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL20512912 0.84 MAPT (0.42) LMNARECQLARALDH1A1MAPT
SCHEMBL30568884 0.84 MAPT (0.42) LMNARECQLARALDH1A1MAPT
SCHEMBL20512574 0.80 MAPT (0.34) LMNARECQLARALDH1A1MAPT
SCHEMBL30568922 0.80 MAPT (0.34) LMNARECQLARALDH1A1MAPT
SCHEMBL20512588 0.79 AR (0.33) LMNAARALDH1A1MAPTGAA
SCHEMBL30568956 0.79 AR (0.33) LMNAARALDH1A1MAPTGAA

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-110740991-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2023-07-04 CN disclosed