SCHEMBL30401360

SCHEMBL30401360

Cc1ccc2c(Nc3cc(Br)ccc3F)nccc2c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.41
LMNA P02545 2/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
TNF P01375 1/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NOD2 Q9HC29 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOD1 Q9Y239 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RET P07949 1/20 0.34
KIF5B P33176 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
SCHEMBL25374364 1.00 EGFR (0.41) EGFRLMNAMAPTMEN1KMT2A
SCHEMBL25375186 0.89 HTT (0.39) EGFRLMNAMAPTMEN1KMT2A
SCHEMBL30402693 0.88 TNF (0.43) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL25374957 0.88 TNF (0.43) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL25376211 0.86 LMNA (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL30402650 0.86 LMNA (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL25373487 0.85 ALDH3A1 (0.47) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL25373687 0.85 MAPT (0.40) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL25376024 0.84 PDGFRB (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL25373684 0.84 LRRK2 (0.44) LMNAMAPTMEN1KMT2AALDH1A1

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-116096718-A Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-05-09 CN disclosed