SCHEMBL30568906

SCHEMBL30568906

CC(C)(O)CNc1c([N+](=O)[O-])cc(Br)c(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
POLB P06746 1/20 0.35
AR P10275 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 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
SCHEMBL20512570 1.00 MAPT (0.35) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL30568942 0.88 MAPT (0.34) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL20512823 0.88 MAPT (0.34) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL20512883 0.81 MAPT (0.33) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL30568917 0.81 MAPT (0.33) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL20512588 0.79 AR (0.33) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL30568956 0.79 AR (0.33) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL20512912 0.78 MAPT (0.42) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL30568884 0.78 MAPT (0.42) MAPTALDH1A1CYP3A4NPSR1LMNA
SCHEMBL20512674 0.78 CFTR (0.34)

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