SCHEMBL30568917

SCHEMBL30568917

CC(C)(O)CNc1c([N+](=O)[O-])cc(Br)c(F)c1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
ABL1 P00519 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
AR P10275 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20512883 1.00 MAPT (0.33) MAPTMAPK1ABL1LMNAHTT
SCHEMBL30568942 0.84 MAPT (0.34) MAPTMAPK1ABL1LMNAHTT
SCHEMBL20512823 0.84 MAPT (0.34) MAPTMAPK1ABL1LMNAHTT
SCHEMBL20512570 0.81 MAPT (0.35) MAPTMAPK1LMNAHTTCYP1A2
SCHEMBL30568906 0.81 MAPT (0.35) MAPTMAPK1LMNAHTTCYP1A2
SCHEMBL20512574 0.80 MAPT (0.34) MAPTMAPK1LMNAHTTCYP1A2
SCHEMBL30568922 0.80 MAPT (0.34) MAPTMAPK1LMNAHTTCYP1A2
SCHEMBL20512658 0.80 CFTR (0.32)
SCHEMBL30568904 0.80 CFTR (0.32)
SCHEMBL20512588 0.75 AR (0.33) MAPTMAPK1ABL1LMNAHTT

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